2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile

C14H18ClN3 — CID 63258366

IUPAC2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NC1CCCCCC1N
InChIInChI=1S/C14H18ClN3/c15-11-5-4-8-13(10(11)9-16)18-14-7-3-1-2-6-12(14)17/h4-5,8,12,14,18H,1-3,6-7,17H2
InChIKeyXSYSDSRUCRHANG-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.28
Rot. Bonds2

About 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile

2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile (PubChem CID 63258366) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile
PubChem CID63258366
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1NC1CCCCCC1N
InChIInChI=1S/C14H18ClN3/c15-11-5-4-8-13(10(11)9-16)18-14-7-3-1-2-6-12(14)17/h4-5,8,12,14,18H,1-3,6-7,17H2
InChIKeyXSYSDSRUCRHANG-UHFFFAOYSA-N
XLogP3.28
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclopentyl)amino]-6-chlorobenzonitrile
CID 63252046
2-chloro-6-[(2-methylsulfanylcyclopentyl)amino]benzonitrile
CID 114121558
2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide
CID 63258411
4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051795
2-[[(1S,2S)-2-aminocyclohexyl]amino]-4-chloro-5-methylbenzonitrile
CID 66703712
2-chloro-6-hydrazinylbenzonitrile;hydrochloride
CID 53416800
1-N-(3-chloro-4-pyridinyl)cycloheptane-1,2-diamine
CID 79841115
2-chloro-6-[[(4S)-4-methoxypyrrolidin-3-yl]amino]benzonitrile
CID 62497668
4-[(2-aminocycloheptyl)amino]-3-methylbenzonitrile
CID 55168034
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-6-methylbenzonitrile
CID 107804318
2-chloro-6-(piperidin-2-ylmethylamino)benzonitrile
CID 62497677
2-(2-bromo-3-chloroanilino)cyclohexane-1-carbonitrile
CID 103478909

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile?
The IUPAC name of 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile (CID 63258366) is 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile.
What is the SMILES notation for 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile?
The canonical SMILES for 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile is N#Cc1c(Cl)cccc1NC1CCCCCC1N.
What is the InChIKey of 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile?
The InChIKey is XSYSDSRUCRHANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c15-11-5-4-8-13(10(11)9-16)18-14-7-3-1-2-6-12(14)17/h4-5,8,12,14,18H,1-3,6-7,17H2.
What are the key properties of 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile?
2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile has a molecular weight of 263.77 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocycloheptyl)amino]-6-chlorobenzonitrile is sourced from PubChem (CID 63258366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).