4-methanimidoylheptan-4-ol

C8H17NO — CID 175013591

IUPAC4-methanimidoylheptan-4-ol
SMILES[H]/N=C/C(O)(CCC)CCC
InChIInChI=1S/C8H17NO/c1-3-5-8(10,7-9)6-4-2/h7,9-10H,3-6H2,1-2H3/b9-7+
InChIKeyJKDIJWUDANOBFZ-VQHVLOKHSA-N
MW143.23 g/mol
LogP1.97
Rot. Bonds5

About 4-methanimidoylheptan-4-ol

4-methanimidoylheptan-4-ol (PubChem CID 175013591) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-methanimidoylheptan-4-ol.

Molecular Properties

Compound Name4-methanimidoylheptan-4-ol
PubChem CID175013591
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-methanimidoylheptan-4-ol
SMILES[H]/N=C/C(O)(CCC)CCC
InChIInChI=1S/C8H17NO/c1-3-5-8(10,7-9)6-4-2/h7,9-10H,3-6H2,1-2H3/b9-7+
InChIKeyJKDIJWUDANOBFZ-VQHVLOKHSA-N
XLogP1.97
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6-diethyl-2-methyl-2-propyloctan-1-imine
CID 129143015
3-(chloromethyl)hex-1-en-3-ol
CID 55298140
butane-1,1,1-triol;hydrochloride
CID 140976874
3,4-dimethylhept-1-yne-3,4-diol
CID 102249500
2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine
CID 87649241
N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine
CID 90840916
2-bromo-2-methylpropan-1-imine
CID 142134063
1-imino-2-methylpropane-2-thiol
CID 89088380
4,4-bis(ethenyl)heptane
CID 154509031
1,1-bis(sulfanyl)pentane-1,2,2-triol
CID 89422410
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
(4R)-4-methylhept-2-yn-4-ol
CID 7022339

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoylheptan-4-ol?
The IUPAC name of 4-methanimidoylheptan-4-ol (CID 175013591) is 4-methanimidoylheptan-4-ol.
What is the SMILES notation for 4-methanimidoylheptan-4-ol?
The canonical SMILES for 4-methanimidoylheptan-4-ol is [H]/N=C/C(O)(CCC)CCC.
What is the InChIKey of 4-methanimidoylheptan-4-ol?
The InChIKey is JKDIJWUDANOBFZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8(10,7-9)6-4-2/h7,9-10H,3-6H2,1-2H3/b9-7+.
What are the key properties of 4-methanimidoylheptan-4-ol?
4-methanimidoylheptan-4-ol has a molecular weight of 143.23 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylheptan-4-ol is sourced from PubChem (CID 175013591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).