N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine

C20H24N2 — CID 101487462

IUPACN'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine
SMILESC1=CC(N(CCNc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2/c1-3-9-18(10-4-1)17-22(20-13-7-8-14-20)16-15-21-19-11-5-2-6-12-19/h1-7,9-13,20-21H,8,14-17H2
InChIKeyIBIVTAYPLZZFAV-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.32
Rot. Bonds7

About N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine

N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine (PubChem CID 101487462) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine
PubChem CID101487462
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine
SMILESC1=CC(N(CCNc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2/c1-3-9-18(10-4-1)17-22(20-13-7-8-14-20)16-15-21-19-11-5-2-6-12-19/h1-7,9-13,20-21H,8,14-17H2
InChIKeyIBIVTAYPLZZFAV-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-N,N-dibenzylcyclohept-2-en-1-amine
CID 139091236
4-[benzyl(cyclohex-2-en-1-yl)amino]-2-methylidenebutanenitrile
CID 10563715
N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
CID 90274197
(1S)-N-benzyl-N-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-amine
CID 102357278
1-[(4-bromophenyl)methyl]-1-cyclopent-2-en-1-yl-3-phenylurea
CID 15590276
lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride
CID 174874760
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
N,N-dibenzylcyclobutanamine
CID 70822586
N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide
CID 11065293
lithium N,N-dibenzylcyclopropanamine
CID 134888964
N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751
N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide
CID 10870546

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine (CID 101487462) is N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine is C1=CC(N(CCNc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine?
The InChIKey is IBIVTAYPLZZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-9-18(10-4-1)17-22(20-13-7-8-14-20)16-15-21-19-11-5-2-6-12-19/h1-7,9-13,20-21H,8,14-17H2.
What are the key properties of N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine?
N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine has a molecular weight of 292.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 101487462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).