2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile

C11H13N3 — CID 60995530

IUPAC2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile
SMILESN#CC(NCC1CC1)c1cccnc1
InChIInChI=1S/C11H13N3/c12-6-11(14-7-9-3-4-9)10-2-1-5-13-8-10/h1-2,5,8-9,11,14H,3-4,7H2
InChIKeyCMTDCNZMESYXHY-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.65
Rot. Bonds4

About 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile

2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile (PubChem CID 60995530) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile
PubChem CID60995530
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile
SMILESN#CC(NCC1CC1)c1cccnc1
InChIInChI=1S/C11H13N3/c12-6-11(14-7-9-3-4-9)10-2-1-5-13-8-10/h1-2,5,8-9,11,14H,3-4,7H2
InChIKeyCMTDCNZMESYXHY-UHFFFAOYSA-N
XLogP1.65
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
2-(cyclopropylmethylamino)-2-(3-methoxyphenyl)acetonitrile
CID 60997226
2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile
CID 63969155
2-(methylamino)-2-pyridin-3-ylacetonitrile
CID 43115040
2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile
CID 121209893
2-(cyclopropylmethylamino)-2-isoquinolin-4-ylacetonitrile
CID 104504229
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-(cyclohexylmethyl)-1-pyridin-3-ylpentan-1-amine
CID 56676007
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile
CID 103367453
2-cyclohexyl-2-pyridin-3-ylacetonitrile
CID 82931254
N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
CID 82117028
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile (CID 60995530) is 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile is N#CC(NCC1CC1)c1cccnc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile?
The InChIKey is CMTDCNZMESYXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-6-11(14-7-9-3-4-9)10-2-1-5-13-8-10/h1-2,5,8-9,11,14H,3-4,7H2.
What are the key properties of 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile?
2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 60995530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).