4-(propan-2-ylamino)butan-1-ol

C7H17NO — CID 12950986

IUPAC4-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NCCCCO
InChIInChI=1S/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChIKeyIPLWOCGPIGUXOR-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.76
Rot. Bonds5

About 4-(propan-2-ylamino)butan-1-ol

4-(propan-2-ylamino)butan-1-ol (PubChem CID 12950986) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(propan-2-ylamino)butan-1-ol
PubChem CID12950986
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NCCCCO
InChIInChI=1S/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChIKeyIPLWOCGPIGUXOR-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
CID 21412290
6-(1-hydroxyethylamino)hexan-1-ol
CID 57216176
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
N-propan-2-ylicosan-1-amine
CID 87246132
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292
ethanesulfonic acid;2-(propan-2-ylamino)ethanol
CID 20512923
N'-propan-2-yloctane-1,8-diamine
CID 138605826
8-hydrazinyl-N-propan-2-yloctan-1-amine
CID 167072309
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(propan-2-ylamino)butan-1-ol (CID 12950986) is 4-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(propan-2-ylamino)butan-1-ol is CC(C)NCCCCO.
What is the InChIKey of 4-(propan-2-ylamino)butan-1-ol?
The InChIKey is IPLWOCGPIGUXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)butan-1-ol?
4-(propan-2-ylamino)butan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 12950986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).