4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium

C12H25NOPm — CID 153491768

IUPAC4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
SMILESCCCC(O)(CCC)/C(C)=N/C(C)C.[Pm]
InChIInChI=1S/C12H25NO.Pm/c1-6-8-12(14,9-7-2)11(5)13-10(3)4;/h10,14H,6-9H2,1-5H3;/b13-11+;
InChIKeyMQRYPEHBVPIVGW-BNSHTTSQSA-N
MW344.34 g/mol
LogP3.19
Rot. Bonds6

About 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium

4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium (PubChem CID 153491768) has the molecular formula C12H25NOPm and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium.

Molecular Properties

Compound Name4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
PubChem CID153491768
Molecular FormulaC12H25NOPm
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
SMILESCCCC(O)(CCC)/C(C)=N/C(C)C.[Pm]
InChIInChI=1S/C12H25NO.Pm/c1-6-8-12(14,9-7-2)11(5)13-10(3)4;/h10,14H,6-9H2,1-5H3;/b13-11+;
InChIKeyMQRYPEHBVPIVGW-BNSHTTSQSA-N
XLogP3.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.19
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

3-ethyl-2-propan-2-yliminohexan-3-ol;europium
CID 153491758
erbium;3-ethyl-2-propan-2-yliminohexan-3-ol
CID 153491711
3-methyl-2-propan-2-yliminohexan-3-ol;scandium
CID 153491828
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;promethium
CID 153491888
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
3-ethyl-2-methyl-4-propan-2-yliminopentan-3-ol;promethium
CID 153491674
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
CID 153491901
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lanthanum
CID 153491751
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
CID 153491806
3-methyl-N-propan-2-yl-3-propoxyhexan-2-imine
CID 153491631

Frequently Asked Questions

What is the IUPAC name of 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium?
The IUPAC name of 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium (CID 153491768) is 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium.
What is the SMILES notation for 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium?
The canonical SMILES for 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium is CCCC(O)(CCC)/C(C)=N/C(C)C.[Pm].
What is the InChIKey of 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium?
The InChIKey is MQRYPEHBVPIVGW-BNSHTTSQSA-N. The full InChI is InChI=1S/C12H25NO.Pm/c1-6-8-12(14,9-7-2)11(5)13-10(3)4;/h10,14H,6-9H2,1-5H3;/b13-11+;.
What are the key properties of 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium?
4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium has a molecular weight of 344.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium is sourced from PubChem (CID 153491768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).