3-iminopentan-1-ol

C5H11NO — CID 57151415

IUPAC3-iminopentan-1-ol
SMILES[H]/N=C(\CC)CCO
InChIInChI=1S/C5H11NO/c1-2-5(6)3-4-7/h6-7H,2-4H2,1H3/b6-5+
InChIKeyOLVMOBDLDMHEOO-AATRIKPKSA-N
MW101.15 g/mol
LogP0.80
Rot. Bonds3

About 3-iminopentan-1-ol

3-iminopentan-1-ol (PubChem CID 57151415) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-iminopentan-1-ol.

Molecular Properties

Compound Name3-iminopentan-1-ol
PubChem CID57151415
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-iminopentan-1-ol
SMILES[H]/N=C(\CC)CCO
InChIInChI=1S/C5H11NO/c1-2-5(6)3-4-7/h6-7H,2-4H2,1H3/b6-5+
InChIKeyOLVMOBDLDMHEOO-AATRIKPKSA-N
XLogP0.80
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.80
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 3-iminopentan-1-ol?
The IUPAC name of 3-iminopentan-1-ol (CID 57151415) is 3-iminopentan-1-ol.
What is the SMILES notation for 3-iminopentan-1-ol?
The canonical SMILES for 3-iminopentan-1-ol is [H]/N=C(\CC)CCO.
What is the InChIKey of 3-iminopentan-1-ol?
The InChIKey is OLVMOBDLDMHEOO-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-5(6)3-4-7/h6-7H,2-4H2,1H3/b6-5+.
What are the key properties of 3-iminopentan-1-ol?
3-iminopentan-1-ol has a molecular weight of 101.15 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminopentan-1-ol is sourced from PubChem (CID 57151415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).