1-[3-aminopropyl(benzyl)amino]butan-2-ol

C14H24N2O — CID 107367330

IUPAC1-[3-aminopropyl(benzyl)amino]butan-2-ol
SMILESCCC(O)CN(CCCN)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-2-14(17)12-16(10-6-9-15)11-13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-12,15H2,1H3
InChIKeyVICAYMJGHVEFFU-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.61
Rot. Bonds8

About 1-[3-aminopropyl(benzyl)amino]butan-2-ol

1-[3-aminopropyl(benzyl)amino]butan-2-ol (PubChem CID 107367330) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[3-aminopropyl(benzyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[3-aminopropyl(benzyl)amino]butan-2-ol
PubChem CID107367330
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[3-aminopropyl(benzyl)amino]butan-2-ol
SMILESCCC(O)CN(CCCN)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-2-14(17)12-16(10-6-9-15)11-13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-12,15H2,1H3
InChIKeyVICAYMJGHVEFFU-UHFFFAOYSA-N
XLogP1.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-[(4-amino-2-hydroxybutyl)-benzylamino]butyl-benzylamino]butan-2-ol
CID 85268457
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
CID 18985341
2-[[3-aminopropyl(benzyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 107367150
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
CID 13219301
N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
CID 63486504
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
CID 111970128

Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(benzyl)amino]butan-2-ol?
The IUPAC name of 1-[3-aminopropyl(benzyl)amino]butan-2-ol (CID 107367330) is 1-[3-aminopropyl(benzyl)amino]butan-2-ol.
What is the SMILES notation for 1-[3-aminopropyl(benzyl)amino]butan-2-ol?
The canonical SMILES for 1-[3-aminopropyl(benzyl)amino]butan-2-ol is CCC(O)CN(CCCN)Cc1ccccc1.
What is the InChIKey of 1-[3-aminopropyl(benzyl)amino]butan-2-ol?
The InChIKey is VICAYMJGHVEFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-14(17)12-16(10-6-9-15)11-13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-12,15H2,1H3.
What are the key properties of 1-[3-aminopropyl(benzyl)amino]butan-2-ol?
1-[3-aminopropyl(benzyl)amino]butan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(benzyl)amino]butan-2-ol is sourced from PubChem (CID 107367330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).