N,N-dibenzyl-1-cyclopentylethane-1,2-diamine

C21H28N2 — CID 130158926

IUPACN,N-dibenzyl-1-cyclopentylethane-1,2-diamine
SMILESNCC(C1CCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2/c22-15-21(20-13-7-8-14-20)23(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17,22H2
InChIKeyLCZXGIWPZARCPH-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.21
Rot. Bonds7

About N,N-dibenzyl-1-cyclopentylethane-1,2-diamine

N,N-dibenzyl-1-cyclopentylethane-1,2-diamine (PubChem CID 130158926) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N,N-dibenzyl-1-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-cyclopentylethane-1,2-diamine
PubChem CID130158926
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN,N-dibenzyl-1-cyclopentylethane-1,2-diamine
SMILESNCC(C1CCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2/c22-15-21(20-13-7-8-14-20)23(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17,22H2
InChIKeyLCZXGIWPZARCPH-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-1-cyclopropylethane-1,2-diamine
CID 43655032
1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 55034763
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55034715
1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450542
(2R,3S)-3-cyclohexyl-2-(dibenzylamino)-3-hydroxypropanenitrile
CID 10871767
2-benzyl-N'-cyclobutylpropane-1,3-diamine
CID 117241558
N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate
CID 174915611
1-cyclohexyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 57365235
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
CID 61416900
N,N-dibenzyl-1-piperidin-2-ylethanamine
CID 131021341
2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine
CID 62616237

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-cyclopentylethane-1,2-diamine?
The IUPAC name of N,N-dibenzyl-1-cyclopentylethane-1,2-diamine (CID 130158926) is N,N-dibenzyl-1-cyclopentylethane-1,2-diamine.
What is the SMILES notation for N,N-dibenzyl-1-cyclopentylethane-1,2-diamine?
The canonical SMILES for N,N-dibenzyl-1-cyclopentylethane-1,2-diamine is NCC(C1CCCC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-cyclopentylethane-1,2-diamine?
The InChIKey is LCZXGIWPZARCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c22-15-21(20-13-7-8-14-20)23(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17,22H2.
What are the key properties of N,N-dibenzyl-1-cyclopentylethane-1,2-diamine?
N,N-dibenzyl-1-cyclopentylethane-1,2-diamine has a molecular weight of 308.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 130158926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).