2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile

C15H15N3 — CID 63969155

IUPAC2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile
SMILESN#CC(NCC1CC1)c1ccc2ncccc2c1
InChIInChI=1S/C15H15N3/c16-9-15(18-10-11-3-4-11)13-5-6-14-12(8-13)2-1-7-17-14/h1-2,5-8,11,15,18H,3-4,10H2
InChIKeyIUZRQDPRQDKJMD-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.80
Rot. Bonds4

About 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile

2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile (PubChem CID 63969155) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile
PubChem CID63969155
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile
SMILESN#CC(NCC1CC1)c1ccc2ncccc2c1
InChIInChI=1S/C15H15N3/c16-9-15(18-10-11-3-4-11)13-5-6-14-12(8-13)2-1-7-17-14/h1-2,5-8,11,15,18H,3-4,10H2
InChIKeyIUZRQDPRQDKJMD-UHFFFAOYSA-N
XLogP2.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
CID 63968719
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
CID 63968929
2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile
CID 60995530
2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile
CID 63969132
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
2-(cyclopropylmethylamino)-2-(3-methoxyphenyl)acetonitrile
CID 60997226
2-quinolin-6-yl-2-trimethylsilyloxyacetonitrile
CID 63970187
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801
2-(cyclopropylmethylamino)-2-isoquinolin-4-ylacetonitrile
CID 104504229

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile?
The IUPAC name of 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile (CID 63969155) is 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile is N#CC(NCC1CC1)c1ccc2ncccc2c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile?
The InChIKey is IUZRQDPRQDKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-9-15(18-10-11-3-4-11)13-5-6-14-12(8-13)2-1-7-17-14/h1-2,5-8,11,15,18H,3-4,10H2.
What are the key properties of 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile?
2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile is sourced from PubChem (CID 63969155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).