3-amino-4-(dibutylamino)butan-1-ol

C12H28N2O — CID 64900069

IUPAC3-amino-4-(dibutylamino)butan-1-ol
SMILESCCCCN(CCCC)CC(N)CCO
InChIInChI=1S/C12H28N2O/c1-3-5-8-14(9-6-4-2)11-12(13)7-10-15/h12,15H,3-11,13H2,1-2H3
InChIKeyPJWXAJOSMLRIET-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.60
Rot. Bonds10

About 3-amino-4-(dibutylamino)butan-1-ol

3-amino-4-(dibutylamino)butan-1-ol (PubChem CID 64900069) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-amino-4-(dibutylamino)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-(dibutylamino)butan-1-ol
PubChem CID64900069
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-amino-4-(dibutylamino)butan-1-ol
SMILESCCCCN(CCCC)CC(N)CCO
InChIInChI=1S/C12H28N2O/c1-3-5-8-14(9-6-4-2)11-12(13)7-10-15/h12,15H,3-11,13H2,1-2H3
InChIKeyPJWXAJOSMLRIET-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine
CID 81101024
2-[butyl(2-methylpentyl)amino]ethanol
CID 62266090
3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 64900510
3-aminononan-1-ol;hydrochloride
CID 55255753
5-(dibutylamino)-3-methylpentan-1-ol
CID 12040637
1-N,1-N-dipropylpentane-1,2-diamine
CID 43650406
(2S)-1-N,1-N-dibutyl-3-methylbutane-1,2-diamine
CID 28983336
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
CID 143083923
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
2-[4-aminopentyl(propyl)amino]ethanol
CID 45357637

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dibutylamino)butan-1-ol?
The IUPAC name of 3-amino-4-(dibutylamino)butan-1-ol (CID 64900069) is 3-amino-4-(dibutylamino)butan-1-ol.
What is the SMILES notation for 3-amino-4-(dibutylamino)butan-1-ol?
The canonical SMILES for 3-amino-4-(dibutylamino)butan-1-ol is CCCCN(CCCC)CC(N)CCO.
What is the InChIKey of 3-amino-4-(dibutylamino)butan-1-ol?
The InChIKey is PJWXAJOSMLRIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-3-5-8-14(9-6-4-2)11-12(13)7-10-15/h12,15H,3-11,13H2,1-2H3.
What are the key properties of 3-amino-4-(dibutylamino)butan-1-ol?
3-amino-4-(dibutylamino)butan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dibutylamino)butan-1-ol is sourced from PubChem (CID 64900069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).