2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile

C13H14Br2N2 — CID 113429756

IUPAC2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C13H14Br2N2/c14-11-5-4-9(6-12(11)15)8-17-13-3-1-2-10(13)7-16/h4-6,10,13,17H,1-3,8H2
InChIKeyJTLVVAQHUHOJDX-UHFFFAOYSA-N
MW358.08 g/mol
LogP3.99
Rot. Bonds3

About 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile

2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 113429756) has the molecular formula C13H14Br2N2 and a molecular weight of 358.08 g/mol. Its IUPAC name is 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID113429756
Molecular FormulaC13H14Br2N2
Molecular Weight358.08 g/mol
Exact Mass355.95
IUPAC Name2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C13H14Br2N2/c14-11-5-4-9(6-12(11)15)8-17-13-3-1-2-10(13)7-16/h4-6,10,13,17H,1-3,8H2
InChIKeyJTLVVAQHUHOJDX-UHFFFAOYSA-N
XLogP3.99
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.08
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
CID 55152539
2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile
CID 102910834
2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 65021627
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]cyclopentane-1-carbonitrile
CID 62963122
[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
CID 113255328
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
2-[(2-bromo-5-fluorophenyl)methylamino]cycloheptane-1-carbonitrile
CID 62741326
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
CID 55154245
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 62961301
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile (CID 113429756) is 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile is N#CC1CCCC1NCc1ccc(Br)c(Br)c1.
What is the InChIKey of 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is JTLVVAQHUHOJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2/c14-11-5-4-9(6-12(11)15)8-17-13-3-1-2-10(13)7-16/h4-6,10,13,17H,1-3,8H2.
What are the key properties of 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile?
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 358.08 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 113429756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).