2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile

C17H33N3 — CID 64727501

IUPAC2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)C1CCC(CC)CC1
InChIInChI=1S/C17H33N3/c1-6-15-8-10-16(11-9-15)20(5)14(3)12-17(4,13-18)19-7-2/h14-16,19H,6-12H2,1-5H3
InChIKeyVESYKQLGMRKUQD-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.56
Rot. Bonds7

About 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile

2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile (PubChem CID 64727501) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
PubChem CID64727501
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)C1CCC(CC)CC1
InChIInChI=1S/C17H33N3/c1-6-15-8-10-16(11-9-15)20(5)14(3)12-17(4,13-18)19-7-2/h14-16,19H,6-12H2,1-5H3
InChIKeyVESYKQLGMRKUQD-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
CID 64727500
2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentan-1-ol
CID 64825627
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726891
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727714
2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
CID 64728298
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
CID 64726878
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727728
1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
CID 63490991
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64727667
4-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64725686

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile (CID 64727501) is 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)N(C)C1CCC(CC)CC1.
What is the InChIKey of 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile?
The InChIKey is VESYKQLGMRKUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-15-8-10-16(11-9-15)20(5)14(3)12-17(4,13-18)19-7-2/h14-16,19H,6-12H2,1-5H3.
What are the key properties of 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile?
2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile has a molecular weight of 279.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile is sourced from PubChem (CID 64727501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).