4-imino-3,5-dimethylhexan-2-ol

C8H17NO — CID 158629570

IUPAC4-imino-3,5-dimethylhexan-2-ol
SMILES[H]/N=C(\C(C)C)C(C)C(C)O
InChIInChI=1S/C8H17NO/c1-5(2)8(9)6(3)7(4)10/h5-7,9-10H,1-4H3/b9-8+
InChIKeyGCJABLVCNNLZFH-CMDGGOBGSA-N
MW143.23 g/mol
LogP1.68
Rot. Bonds3

About 4-imino-3,5-dimethylhexan-2-ol

4-imino-3,5-dimethylhexan-2-ol (PubChem CID 158629570) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-imino-3,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name4-imino-3,5-dimethylhexan-2-ol
PubChem CID158629570
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-imino-3,5-dimethylhexan-2-ol
SMILES[H]/N=C(\C(C)C)C(C)C(C)O
InChIInChI=1S/C8H17NO/c1-5(2)8(9)6(3)7(4)10/h5-7,9-10H,1-4H3/b9-8+
InChIKeyGCJABLVCNNLZFH-CMDGGOBGSA-N
XLogP1.68
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.68
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

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CID 171517765
(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol
CID 88890970
1-hydroxyethyl carbamimidothioate
CID 19790650
6-imino-3,3,7-trimethyloctane-1,5-diamine
CID 154999303
3-methylbutan-2-imine
CID 20811318
2-methyl-4-(2-methylcyclobutyl)pentan-3-imine
CID 123637394
3-hydroxy-2-(1-hydroxybutyl)-4-imino-5-methylhexanenitrile
CID 134382344
(2S,3R)-3-hydroxy-2-methylbutanoate
CID 18654775
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
2-methylpropanimidamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-imino-3,5-dimethylhexan-2-ol?
The IUPAC name of 4-imino-3,5-dimethylhexan-2-ol (CID 158629570) is 4-imino-3,5-dimethylhexan-2-ol.
What is the SMILES notation for 4-imino-3,5-dimethylhexan-2-ol?
The canonical SMILES for 4-imino-3,5-dimethylhexan-2-ol is [H]/N=C(\C(C)C)C(C)C(C)O.
What is the InChIKey of 4-imino-3,5-dimethylhexan-2-ol?
The InChIKey is GCJABLVCNNLZFH-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17NO/c1-5(2)8(9)6(3)7(4)10/h5-7,9-10H,1-4H3/b9-8+.
What are the key properties of 4-imino-3,5-dimethylhexan-2-ol?
4-imino-3,5-dimethylhexan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-3,5-dimethylhexan-2-ol is sourced from PubChem (CID 158629570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).