2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile

C14H18N2 — CID 62414881

IUPAC2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
SMILESCCc1ccccc1C(C#N)NCC1CC1
InChIInChI=1S/C14H18N2/c1-2-12-5-3-4-6-13(12)14(9-15)16-10-11-7-8-11/h3-6,11,14,16H,2,7-8,10H2,1H3
InChIKeyXBQOMZYFJOZWAR-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.81
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile

2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile (PubChem CID 62414881) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
PubChem CID62414881
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
SMILESCCc1ccccc1C(C#N)NCC1CC1
InChIInChI=1S/C14H18N2/c1-2-12-5-3-4-6-13(12)14(9-15)16-10-11-7-8-11/h3-6,11,14,16H,2,7-8,10H2,1H3
InChIKeyXBQOMZYFJOZWAR-UHFFFAOYSA-N
XLogP2.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile (CID 62414881) is 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile is CCc1ccccc1C(C#N)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile?
The InChIKey is XBQOMZYFJOZWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-12-5-3-4-6-13(12)14(9-15)16-10-11-7-8-11/h3-6,11,14,16H,2,7-8,10H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile?
2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile is sourced from PubChem (CID 62414881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).