(1S)-1-(butylamino)propan-1-ol

C7H17NO — CID 153016894

IUPAC(1S)-1-(butylamino)propan-1-ol
SMILESCCCCN[C@@H](O)CC
InChIInChI=1S/C7H17NO/c1-3-5-6-8-7(9)4-2/h7-9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVBDTYFWEVNRBAZ-ZETCQYMHSA-N
MW131.22 g/mol
LogP1.10
Rot. Bonds5

About (1S)-1-(butylamino)propan-1-ol

(1S)-1-(butylamino)propan-1-ol (PubChem CID 153016894) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (1S)-1-(butylamino)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(butylamino)propan-1-ol
PubChem CID153016894
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(1S)-1-(butylamino)propan-1-ol
SMILESCCCCN[C@@H](O)CC
InChIInChI=1S/C7H17NO/c1-3-5-6-8-7(9)4-2/h7-9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVBDTYFWEVNRBAZ-ZETCQYMHSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol
CID 87634862
1-(hexylamino)propan-1-ol
CID 57070645
1-(butylamino)-2-(sulfanylamino)ethanol
CID 138721720
7-(1-hydroxypropylamino)heptane-1,1-diol
CID 149148660
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
1-[2-(dodecylamino)ethylamino]propan-1-ol
CID 88834870
1-(2-sulfanylethylamino)propan-1-ol
CID 90755386
1-(butylamino)ethanol;hydrochloride
CID 20534159
1-(pentylamino)dodecan-1-ol
CID 88518034
2-amino-1-(pentylamino)ethanol
CID 88684452
1-(octylamino)dodecan-1-ol
CID 88518081

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(butylamino)propan-1-ol?
The IUPAC name of (1S)-1-(butylamino)propan-1-ol (CID 153016894) is (1S)-1-(butylamino)propan-1-ol.
What is the SMILES notation for (1S)-1-(butylamino)propan-1-ol?
The canonical SMILES for (1S)-1-(butylamino)propan-1-ol is CCCCN[C@@H](O)CC.
What is the InChIKey of (1S)-1-(butylamino)propan-1-ol?
The InChIKey is VBDTYFWEVNRBAZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-5-6-8-7(9)4-2/h7-9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(butylamino)propan-1-ol?
(1S)-1-(butylamino)propan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(butylamino)propan-1-ol is sourced from PubChem (CID 153016894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).