2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile

C14H18N2 — CID 79983003

IUPAC2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccccc1C1CC1
InChIInChI=1S/C14H18N2/c1-2-9-16-14(10-15)13-6-4-3-5-12(13)11-7-8-11/h3-6,11,14,16H,2,7-9H2,1H3
InChIKeyHBXZCWUVKVAFRT-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile

2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile (PubChem CID 79983003) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile
PubChem CID79983003
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccccc1C1CC1
InChIInChI=1S/C14H18N2/c1-2-9-16-14(10-15)13-6-4-3-5-12(13)11-7-8-11/h3-6,11,14,16H,2,7-9H2,1H3
InChIKeyHBXZCWUVKVAFRT-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-azidopropylamino)-2-(2-cyclopropylphenyl)acetonitrile
CID 79982652
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
CID 84816526
N-[(2-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
CID 62414881
2-(2-cyclopropylphenyl)-2-(ethylamino)ethanol
CID 79983481
2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile
CID 79982485

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile?
The IUPAC name of 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile (CID 79983003) is 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile?
The canonical SMILES for 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile is CCCNC(C#N)c1ccccc1C1CC1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile?
The InChIKey is HBXZCWUVKVAFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-9-16-14(10-15)13-6-4-3-5-12(13)11-7-8-11/h3-6,11,14,16H,2,7-9H2,1H3.
What are the key properties of 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile?
2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile is sourced from PubChem (CID 79983003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).