4-imino-2-methylheptan-1-ol

C8H17NO — CID 175272067

IUPAC4-imino-2-methylheptan-1-ol
SMILES[H]/N=C(\CCC)CC(C)CO
InChIInChI=1S/C8H17NO/c1-3-4-8(9)5-7(2)6-10/h7,9-10H,3-6H2,1-2H3/b9-8+
InChIKeyXAMGCKHCNVKJHM-CMDGGOBGSA-N
MW143.23 g/mol
LogP1.82
Rot. Bonds5

About 4-imino-2-methylheptan-1-ol

4-imino-2-methylheptan-1-ol (PubChem CID 175272067) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-imino-2-methylheptan-1-ol.

Molecular Properties

Compound Name4-imino-2-methylheptan-1-ol
PubChem CID175272067
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-imino-2-methylheptan-1-ol
SMILES[H]/N=C(\CCC)CC(C)CO
InChIInChI=1S/C8H17NO/c1-3-4-8(9)5-7(2)6-10/h7,9-10H,3-6H2,1-2H3/b9-8+
InChIKeyXAMGCKHCNVKJHM-CMDGGOBGSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-2-methylheptan-1-ol?
The IUPAC name of 4-imino-2-methylheptan-1-ol (CID 175272067) is 4-imino-2-methylheptan-1-ol.
What is the SMILES notation for 4-imino-2-methylheptan-1-ol?
The canonical SMILES for 4-imino-2-methylheptan-1-ol is [H]/N=C(\CCC)CC(C)CO.
What is the InChIKey of 4-imino-2-methylheptan-1-ol?
The InChIKey is XAMGCKHCNVKJHM-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-8(9)5-7(2)6-10/h7,9-10H,3-6H2,1-2H3/b9-8+.
What are the key properties of 4-imino-2-methylheptan-1-ol?
4-imino-2-methylheptan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2-methylheptan-1-ol is sourced from PubChem (CID 175272067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).