5-iminopentan-1-ol

C5H11NO — CID 22352756

IUPAC5-iminopentan-1-ol
SMILES[H]/N=C/CCCCO
InChIInChI=1S/C5H11NO/c6-4-2-1-3-5-7/h4,6-7H,1-3,5H2/b6-4+
InChIKeyPJXCELWGYONKHB-GQCTYLIASA-N
MW101.15 g/mol
LogP0.80
Rot. Bonds4

About 5-iminopentan-1-ol

5-iminopentan-1-ol (PubChem CID 22352756) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 5-iminopentan-1-ol.

Molecular Properties

Compound Name5-iminopentan-1-ol
PubChem CID22352756
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name5-iminopentan-1-ol
SMILES[H]/N=C/CCCCO
InChIInChI=1S/C5H11NO/c6-4-2-1-3-5-7/h4,6-7H,1-3,5H2/b6-4+
InChIKeyPJXCELWGYONKHB-GQCTYLIASA-N
XLogP0.80
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

hexane-1,6-diimine;hydrochloride
CID 175422205
azane;hexan-1-imine
CID 158895938
6-imino-2,2-dimethylhexan-1-ol
CID 143543962
12-iminododecanoic acid
CID 142632270
hexan-1-imine;platinum;dihydrate
CID 175690790
hex-5-en-1-imine
CID 57150072
bis(8-iminooctoxy)methanethione
CID 174878192
hexan-1-imine;tetrabromoosmium
CID 175766218
dichlorocopper;hexan-1-imine
CID 175941191
4-methylsulfanylbutan-1-imine
CID 88877345
hexadec-8-ene-1,16-diol
CID 54395986
2-[2-(5-iminopentyl)hydrazinyl]ethanamine
CID 170288300

Frequently Asked Questions

What is the IUPAC name of 5-iminopentan-1-ol?
The IUPAC name of 5-iminopentan-1-ol (CID 22352756) is 5-iminopentan-1-ol.
What is the SMILES notation for 5-iminopentan-1-ol?
The canonical SMILES for 5-iminopentan-1-ol is [H]/N=C/CCCCO.
What is the InChIKey of 5-iminopentan-1-ol?
The InChIKey is PJXCELWGYONKHB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h4,6-7H,1-3,5H2/b6-4+.
What are the key properties of 5-iminopentan-1-ol?
5-iminopentan-1-ol has a molecular weight of 101.15 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminopentan-1-ol is sourced from PubChem (CID 22352756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).