5-imino-6-methylheptan-3-ol

C8H17NO — CID 123862877

IUPAC5-imino-6-methylheptan-3-ol
SMILES[H]/N=C(/CC(O)CC)C(C)C
InChIInChI=1S/C8H17NO/c1-4-7(10)5-8(9)6(2)3/h6-7,9-10H,4-5H2,1-3H3/b9-8-
InChIKeyKDBGVPKBIROVSN-HJWRWDBZSA-N
MW143.23 g/mol
LogP1.82
Rot. Bonds4

About 5-imino-6-methylheptan-3-ol

5-imino-6-methylheptan-3-ol (PubChem CID 123862877) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-imino-6-methylheptan-3-ol.

Molecular Properties

Compound Name5-imino-6-methylheptan-3-ol
PubChem CID123862877
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-imino-6-methylheptan-3-ol
SMILES[H]/N=C(/CC(O)CC)C(C)C
InChIInChI=1S/C8H17NO/c1-4-7(10)5-8(9)6(2)3/h6-7,9-10H,4-5H2,1-3H3/b9-8-
InChIKeyKDBGVPKBIROVSN-HJWRWDBZSA-N
XLogP1.82
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 5-imino-6-methylheptan-3-ol?
The IUPAC name of 5-imino-6-methylheptan-3-ol (CID 123862877) is 5-imino-6-methylheptan-3-ol.
What is the SMILES notation for 5-imino-6-methylheptan-3-ol?
The canonical SMILES for 5-imino-6-methylheptan-3-ol is [H]/N=C(/CC(O)CC)C(C)C.
What is the InChIKey of 5-imino-6-methylheptan-3-ol?
The InChIKey is KDBGVPKBIROVSN-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(10)5-8(9)6(2)3/h6-7,9-10H,4-5H2,1-3H3/b9-8-.
What are the key properties of 5-imino-6-methylheptan-3-ol?
5-imino-6-methylheptan-3-ol has a molecular weight of 143.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-6-methylheptan-3-ol is sourced from PubChem (CID 123862877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).