2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile

C16H23N3 — CID 114763507

IUPAC2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile
SMILESCCNC1CCC(N(C)c2ccccc2C#N)CC1
InChIInChI=1S/C16H23N3/c1-3-18-14-8-10-15(11-9-14)19(2)16-7-5-4-6-13(16)12-17/h4-7,14-15,18H,3,8-11H2,1-2H3
InChIKeyRNEKOZMZBLAIPH-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.92
Rot. Bonds4

About 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile

2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile (PubChem CID 114763507) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile
PubChem CID114763507
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile
SMILESCCNC1CCC(N(C)c2ccccc2C#N)CC1
InChIInChI=1S/C16H23N3/c1-3-18-14-8-10-15(11-9-14)19(2)16-7-5-4-6-13(16)12-17/h4-7,14-15,18H,3,8-11H2,1-2H3
InChIKeyRNEKOZMZBLAIPH-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(ethyl)amino]benzonitrile
CID 43264326
2-[butan-2-yl(methyl)amino]benzonitrile
CID 43273059
2-[cyclopropyl(methyl)amino]-5-fluorobenzonitrile
CID 63668009
2-[1-cyclopropylethyl(methyl)amino]benzonitrile
CID 43420456
4-bromo-2-[cyclopropyl(methyl)amino]benzonitrile
CID 114901416
1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 79122605
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551916
2-[(4-aminophenyl)methyl-cyclopropylamino]benzonitrile
CID 60876666
1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
CID 103830180
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79116958
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 63234456

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile?
The IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile (CID 114763507) is 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile.
What is the SMILES notation for 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile?
The canonical SMILES for 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile is CCNC1CCC(N(C)c2ccccc2C#N)CC1.
What is the InChIKey of 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile?
The InChIKey is RNEKOZMZBLAIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-18-14-8-10-15(11-9-14)19(2)16-7-5-4-6-13(16)12-17/h4-7,14-15,18H,3,8-11H2,1-2H3.
What are the key properties of 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile?
2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile has a molecular weight of 257.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile is sourced from PubChem (CID 114763507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).