2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine

C16H25BrN2 — CID 55087665

IUPAC2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCCC1)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-13(11-18-15-8-4-5-9-15)19(2)12-14-7-3-6-10-16(14)17/h3,6-7,10,13,15,18H,4-5,8-9,11-12H2,1-2H3
InChIKeyZVCPTSPCNINMHP-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.80
Rot. Bonds6

About 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine

2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine (PubChem CID 55087665) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
PubChem CID55087665
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNC1CCCC1)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-13(11-18-15-8-4-5-9-15)19(2)12-14-7-3-6-10-16(14)17/h3,6-7,10,13,15,18H,4-5,8-9,11-12H2,1-2H3
InChIKeyZVCPTSPCNINMHP-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-2-N-methyl-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 62569436
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62558539
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
CID 60647343
2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 55354630
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63503088
2-N-[(2-bromophenyl)methyl]-1-N-(3-ethoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62567995
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072605
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
1-N-cyclopentyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
CID 62568294

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine (CID 55087665) is 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine is CC(CNC1CCCC1)N(C)Cc1ccccc1Br.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
The InChIKey is ZVCPTSPCNINMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13(11-18-15-8-4-5-9-15)19(2)12-14-7-3-6-10-16(14)17/h3,6-7,10,13,15,18H,4-5,8-9,11-12H2,1-2H3.
What are the key properties of 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine?
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine has a molecular weight of 325.29 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55087665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).