2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile

C14H19N3 — CID 55114369

IUPAC2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCc1cccnc1
InChIInChI=1S/C14H19N3/c15-9-13-6-2-1-3-7-14(13)17-11-12-5-4-8-16-10-12/h4-5,8,10,13-14,17H,1-3,6-7,11H2
InChIKeyZFTZAFRXTUPIQI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.64
Rot. Bonds3

About 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile

2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile (PubChem CID 55114369) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
PubChem CID55114369
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCc1cccnc1
InChIInChI=1S/C14H19N3/c15-9-13-6-2-1-3-7-14(13)17-11-12-5-4-8-16-10-12/h4-5,8,10,13-14,17H,1-3,6-7,11H2
InChIKeyZFTZAFRXTUPIQI-UHFFFAOYSA-N
XLogP2.64
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 75384290
2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 62741701
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 129434882
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile (CID 55114369) is 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile is N#CC1CCCCCC1NCc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile?
The InChIKey is ZFTZAFRXTUPIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-9-13-6-2-1-3-7-14(13)17-11-12-5-4-8-16-10-12/h4-5,8,10,13-14,17H,1-3,6-7,11H2.
What are the key properties of 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile?
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 55114369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).