4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol

C66H138Lu6N6O6 — CID 160728576

IUPAC4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol
SMILESCCCC(O)(/C(C)=N/C(C)C)C(C)C.CCCC(O)(/C(C)=N/C)C(C)C.CCCC(O)(/C(C)=N/CC)C(C)C.CCCC(O)(CCC)/C(C)=N/C.CCCC(O)(CCC)/C(C)=N/C(C)C.CCCC(O)(CCC)/C(C)=N/CC.[Lu].[Lu].[Lu].[Lu].[Lu].[Lu]
InChIInChI=1S/2C12H25NO.2C11H23NO.2C10H21NO.6Lu/c1-7-8-12(14,9(2)3)11(6)13-10(4)5;1-6-8-12(14,9-7-2)11(5)13-10(3)4;1-6-8-11(13,9(3)4)10(5)12-7-2;1-5-8-11(13,9-6-2)10(4)12-7-3;1-6-7-10(12,8(2)3)9(4)11-5;1-5-7-10(12,8-6-2)9(3)11-4;;;;;;/h9-10,14H,7-8H2,1-6H3;10,14H,6-9H2,1-5H3;9,13H,6-8H2,1-5H3;13H,5-9H2,1-4H3;8,12H,6-7H2,1-5H3;12H,5-8H2,1-4H3;;;;;;/b2*13-11+;2*12-10+;2*11-9+;;;;;;
InChIKeyVBSJOJNKAQOFTL-RPBJGZGNSA-N
MW2161.67 g/mol
LogP16.36
Rot. Bonds31

About 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol

4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol (PubChem CID 160728576) has the molecular formula C66H138Lu6N6O6 and a molecular weight of 2161.67 g/mol. Its IUPAC name is 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol.

Molecular Properties

Compound Name4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol
PubChem CID160728576
Molecular FormulaC66H138Lu6N6O6
Molecular Weight2161.67 g/mol
Exact Mass2160.71
IUPAC Name4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol
SMILESCCCC(O)(/C(C)=N/C(C)C)C(C)C.CCCC(O)(/C(C)=N/C)C(C)C.CCCC(O)(/C(C)=N/CC)C(C)C.CCCC(O)(CCC)/C(C)=N/C.CCCC(O)(CCC)/C(C)=N/C(C)C.CCCC(O)(CCC)/C(C)=N/CC.[Lu].[Lu].[Lu].[Lu].[Lu].[Lu]
InChIInChI=1S/2C12H25NO.2C11H23NO.2C10H21NO.6Lu/c1-7-8-12(14,9(2)3)11(6)13-10(4)5;1-6-8-12(14,9-7-2)11(5)13-10(3)4;1-6-8-11(13,9(3)4)10(5)12-7-2;1-5-8-11(13,9-6-2)10(4)12-7-3;1-6-7-10(12,8(2)3)9(4)11-5;1-5-7-10(12,8-6-2)9(3)11-4;;;;;;/h9-10,14H,7-8H2,1-6H3;10,14H,6-9H2,1-5H3;9,13H,6-8H2,1-5H3;13H,5-9H2,1-4H3;8,12H,6-7H2,1-5H3;12H,5-8H2,1-4H3;;;;;;/b2*13-11+;2*12-10+;2*11-9+;;;;;;
InChIKeyVBSJOJNKAQOFTL-RPBJGZGNSA-N
XLogP16.36
TPSA195.54 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002161.67
LogP ≤ 516.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol?
The IUPAC name of 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol (CID 160728576) is 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol.
What is the SMILES notation for 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol?
The canonical SMILES for 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol is CCCC(O)(/C(C)=N/C(C)C)C(C)C.CCCC(O)(/C(C)=N/C)C(C)C.CCCC(O)(/C(C)=N/CC)C(C)C.CCCC(O)(CCC)/C(C)=N/C.CCCC(O)(CCC)/C(C)=N/C(C)C.CCCC(O)(CCC)/C(C)=N/CC.[Lu].[Lu].[Lu].[Lu].[Lu].[Lu].
What is the InChIKey of 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol?
The InChIKey is VBSJOJNKAQOFTL-RPBJGZGNSA-N. The full InChI is InChI=1S/2C12H25NO.2C11H23NO.2C10H21NO.6Lu/c1-7-8-12(14,9(2)3)11(6)13-10(4)5;1-6-8-12(14,9-7-2)11(5)13-10(3)4;1-6-8-11(13,9(3)4)10(5)12-7-2;1-5-8-11(13,9-6-2)10(4)12-7-3;1-6-7-10(12,8(2)3)9(4)11-5;1-5-7-10(12,8-6-2)9(3)11-4;;;;;;/h9-10,14H,7-8H2,1-6H3;10,14H,6-9H2,1-5H3;9,13H,6-8H2,1-5H3;13H,5-9H2,1-4H3;8,12H,6-7H2,1-5H3;12H,5-8H2,1-4H3;;;;;;/b2*13-11+;2*12-10+;2*11-9+;;;;;;.
What are the key properties of 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol?
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol has a molecular weight of 2161.67 g/mol, XLogP of 16.36, 31 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol is sourced from PubChem (CID 160728576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).