3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium

C10H21LuNO — CID 153491926

IUPAC3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium
SMILESCCCC(O)(/C(C)=N/C)C(C)C.[Lu]
InChIInChI=1S/C10H21NO.Lu/c1-6-7-10(12,8(2)3)9(4)11-5;/h8,12H,6-7H2,1-5H3;/b11-9+;
InChIKeyHKCMFJJKBCZJMS-LBEJWNQZSA-N
MW346.25 g/mol
LogP2.26
Rot. Bonds4

About 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium

3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium (PubChem CID 153491926) has the molecular formula C10H21LuNO and a molecular weight of 346.25 g/mol. Its IUPAC name is 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium.

Molecular Properties

Compound Name3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium
PubChem CID153491926
Molecular FormulaC10H21LuNO
Molecular Weight346.25 g/mol
Exact Mass346.10
IUPAC Name3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium
SMILESCCCC(O)(/C(C)=N/C)C(C)C.[Lu]
InChIInChI=1S/C10H21NO.Lu/c1-6-7-10(12,8(2)3)9(4)11-5;/h8,12H,6-7H2,1-5H3;/b11-9+;
InChIKeyHKCMFJJKBCZJMS-LBEJWNQZSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;ytterbium
CID 153491793
cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol
CID 153491929
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;3-ethyl-2-methyl-4-propan-2-yliminopentan-3-ol;3-methyl-2-methyliminohexan-3-ol;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;3-methyl-2-propan-2-yliminohexan-3-ol;decakis(yttrium)
CID 162008239
5-hydroxy-5-propan-2-yloctan-4-one
CID 121217425
3-ethyl-2-methyl-4-propan-2-yliminopentan-3-ol;promethium
CID 153491674
3-ethyl-2-ethylimino-4-methylpentan-3-ol;lanthanum
CID 153491621
4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
CID 153491768
3-methyl-2-propan-2-yliminohexan-3-ol;scandium
CID 153491828
3-ethyl-2-methyliminopentan-3-ol;thulium
CID 153491886
3-ethyl-2-propan-2-yliminohexan-3-ol;europium
CID 153491758
erbium;3-ethyl-2-propan-2-yliminohexan-3-ol
CID 153491711

Frequently Asked Questions

What is the IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium?
The IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium (CID 153491926) is 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium.
What is the SMILES notation for 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium?
The canonical SMILES for 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium is CCCC(O)(/C(C)=N/C)C(C)C.[Lu].
What is the InChIKey of 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium?
The InChIKey is HKCMFJJKBCZJMS-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H21NO.Lu/c1-6-7-10(12,8(2)3)9(4)11-5;/h8,12H,6-7H2,1-5H3;/b11-9+;.
What are the key properties of 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium?
3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium has a molecular weight of 346.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;lutetium is sourced from PubChem (CID 153491926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).