3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine

C14H22N2 — CID 60914508

IUPAC3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
SMILESCC(CCN)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H22N2/c1-12(9-10-15)16(14-7-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKeyRIMXBJZAVPNOMN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.39
Rot. Bonds6

About 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine

3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine (PubChem CID 60914508) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
PubChem CID60914508
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
SMILESCC(CCN)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H22N2/c1-12(9-10-15)16(14-7-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKeyRIMXBJZAVPNOMN-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
(2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol
CID 118917713
(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66567022
2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 66564020
N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
CID 43575852
2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
CID 66567137
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
CID 163258237
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate
CID 131010587
3-[[(4-ethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64748919
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
CID 66569418

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine?
The IUPAC name of 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine (CID 60914508) is 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine.
What is the SMILES notation for 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine?
The canonical SMILES for 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine is CC(CCN)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine?
The InChIKey is RIMXBJZAVPNOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(9-10-15)16(14-7-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3.
What are the key properties of 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine?
3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine is sourced from PubChem (CID 60914508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).