5-imino-2-methylpentan-1-ol

C6H13NO — CID 54190457

IUPAC5-imino-2-methylpentan-1-ol
SMILES[H]/N=C/CCC(C)CO
InChIInChI=1S/C6H13NO/c1-6(5-8)3-2-4-7/h4,6-8H,2-3,5H2,1H3/b7-4+
InChIKeyPIDJCBUWNKJCKM-QPJJXVBHSA-N
MW115.18 g/mol
LogP1.04
Rot. Bonds4

About 5-imino-2-methylpentan-1-ol

5-imino-2-methylpentan-1-ol (PubChem CID 54190457) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 5-imino-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-imino-2-methylpentan-1-ol
PubChem CID54190457
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name5-imino-2-methylpentan-1-ol
SMILES[H]/N=C/CCC(C)CO
InChIInChI=1S/C6H13NO/c1-6(5-8)3-2-4-7/h4,6-8H,2-3,5H2,1H3/b7-4+
InChIKeyPIDJCBUWNKJCKM-QPJJXVBHSA-N
XLogP1.04
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.04
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-2-methylpentan-1-ol?
The IUPAC name of 5-imino-2-methylpentan-1-ol (CID 54190457) is 5-imino-2-methylpentan-1-ol.
What is the SMILES notation for 5-imino-2-methylpentan-1-ol?
The canonical SMILES for 5-imino-2-methylpentan-1-ol is [H]/N=C/CCC(C)CO.
What is the InChIKey of 5-imino-2-methylpentan-1-ol?
The InChIKey is PIDJCBUWNKJCKM-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(5-8)3-2-4-7/h4,6-8H,2-3,5H2,1H3/b7-4+.
What are the key properties of 5-imino-2-methylpentan-1-ol?
5-imino-2-methylpentan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-2-methylpentan-1-ol is sourced from PubChem (CID 54190457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).