2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile

C15H24N2 — CID 79552479

IUPAC2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile
SMILESN#CCN(CC1CC2CCC1C2)C1CCCC1
InChIInChI=1S/C15H24N2/c16-7-8-17(15-3-1-2-4-15)11-14-10-12-5-6-13(14)9-12/h12-15H,1-6,8-11H2
InChIKeyPBJWUCIPRCUSEK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.19
Rot. Bonds4

About 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile

2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile (PubChem CID 79552479) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile
PubChem CID79552479
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile
SMILESN#CCN(CC1CC2CCC1C2)C1CCCC1
InChIInChI=1S/C15H24N2/c16-7-8-17(15-3-1-2-4-15)11-14-10-12-5-6-13(14)9-12/h12-15H,1-6,8-11H2
InChIKeyPBJWUCIPRCUSEK-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile
CID 63091460
2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile
CID 154734043
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one
CID 79618760
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-(2-chloroethyl)-2,2,2-trifluoroethanamine
CID 107489188
2-[but-2-enyl(cyclopentyl)amino]acetonitrile
CID 77037861
2-[cyanomethyl(cyclopentyl)amino]acetic acid
CID 60833018
trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile
CID 79550902
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-ethyl-1-N-methylcyclohexane-1,3-diamine
CID 79618401
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propylamino)propanenitrile
CID 63681653
2-(2-bicyclo[2.2.1]heptanylmethyl)thiolane-2-carbonitrile
CID 83173273

Frequently Asked Questions

What is the IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile?
The IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile (CID 79552479) is 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile?
The canonical SMILES for 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile is N#CCN(CC1CC2CCC1C2)C1CCCC1.
What is the InChIKey of 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile?
The InChIKey is PBJWUCIPRCUSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-7-8-17(15-3-1-2-4-15)11-14-10-12-5-6-13(14)9-12/h12-15H,1-6,8-11H2.
What are the key properties of 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile?
2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile has a molecular weight of 232.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile is sourced from PubChem (CID 79552479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).