2-benzyl-N'-cyclobutylpropane-1,3-diamine

C14H22N2 — CID 117241558

IUPAC2-benzyl-N'-cyclobutylpropane-1,3-diamine
SMILESNCC(CNC1CCC1)Cc1ccccc1
InChIInChI=1S/C14H22N2/c15-10-13(11-16-14-7-4-8-14)9-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11,15H2
InChIKeyZXOHVUSIZUCELI-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.95
Rot. Bonds6

About 2-benzyl-N'-cyclobutylpropane-1,3-diamine

2-benzyl-N'-cyclobutylpropane-1,3-diamine (PubChem CID 117241558) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-benzyl-N'-cyclobutylpropane-1,3-diamine.

Molecular Properties

Compound Name2-benzyl-N'-cyclobutylpropane-1,3-diamine
PubChem CID117241558
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-benzyl-N'-cyclobutylpropane-1,3-diamine
SMILESNCC(CNC1CCC1)Cc1ccccc1
InChIInChI=1S/C14H22N2/c15-10-13(11-16-14-7-4-8-14)9-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11,15H2
InChIKeyZXOHVUSIZUCELI-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine
CID 117246184
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
N-(2-cycloheptyl-3-phenylpropyl)cyclopropanamine
CID 82932346
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
N-(2-cyclopropyl-3-phenylpropyl)cyclopropanamine
CID 104819239
N,N-dibenzyl-1-cyclopentylethane-1,2-diamine
CID 130158926
2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
CID 117243823

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N'-cyclobutylpropane-1,3-diamine?
The IUPAC name of 2-benzyl-N'-cyclobutylpropane-1,3-diamine (CID 117241558) is 2-benzyl-N'-cyclobutylpropane-1,3-diamine.
What is the SMILES notation for 2-benzyl-N'-cyclobutylpropane-1,3-diamine?
The canonical SMILES for 2-benzyl-N'-cyclobutylpropane-1,3-diamine is NCC(CNC1CCC1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N'-cyclobutylpropane-1,3-diamine?
The InChIKey is ZXOHVUSIZUCELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-10-13(11-16-14-7-4-8-14)9-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11,15H2.
What are the key properties of 2-benzyl-N'-cyclobutylpropane-1,3-diamine?
2-benzyl-N'-cyclobutylpropane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N'-cyclobutylpropane-1,3-diamine is sourced from PubChem (CID 117241558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).