4-methyliminopentan-1-ol

C6H13NO — CID 23268578

IUPAC4-methyliminopentan-1-ol
SMILESC/N=C(\C)CCCO
InChIInChI=1S/C6H13NO/c1-6(7-2)4-3-5-8/h8H,3-5H2,1-2H3/b7-6+
InChIKeyZFVLMIQQKAIMBS-VOTSOKGWSA-N
MW115.18 g/mol
LogP0.85
Rot. Bonds3

About 4-methyliminopentan-1-ol

4-methyliminopentan-1-ol (PubChem CID 23268578) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-methyliminopentan-1-ol.

Molecular Properties

Compound Name4-methyliminopentan-1-ol
PubChem CID23268578
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-methyliminopentan-1-ol
SMILESC/N=C(\C)CCCO
InChIInChI=1S/C6H13NO/c1-6(7-2)4-3-5-8/h8H,3-5H2,1-2H3/b7-6+
InChIKeyZFVLMIQQKAIMBS-VOTSOKGWSA-N
XLogP0.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
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-methyliminopentan-1-ol?
The IUPAC name of 4-methyliminopentan-1-ol (CID 23268578) is 4-methyliminopentan-1-ol.
What is the SMILES notation for 4-methyliminopentan-1-ol?
The canonical SMILES for 4-methyliminopentan-1-ol is C/N=C(\C)CCCO.
What is the InChIKey of 4-methyliminopentan-1-ol?
The InChIKey is ZFVLMIQQKAIMBS-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(7-2)4-3-5-8/h8H,3-5H2,1-2H3/b7-6+.
What are the key properties of 4-methyliminopentan-1-ol?
4-methyliminopentan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyliminopentan-1-ol is sourced from PubChem (CID 23268578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).