2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile

C16H29N3 — CID 63912025

IUPAC2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile
SMILESCCNC(C#N)(CN(C)C1CCCC(C)C1)C1CC1
InChIInChI=1S/C16H29N3/c1-4-18-16(11-17,14-8-9-14)12-19(3)15-7-5-6-13(2)10-15/h13-15,18H,4-10,12H2,1-3H3
InChIKeyLTSVRQRTHGIYJR-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.78
Rot. Bonds6

About 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile

2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile (PubChem CID 63912025) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile
PubChem CID63912025
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile
SMILESCCNC(C#N)(CN(C)C1CCCC(C)C1)C1CC1
InChIInChI=1S/C16H29N3/c1-4-18-16(11-17,14-8-9-14)12-19(3)15-7-5-6-13(2)10-15/h13-15,18H,4-10,12H2,1-3H3
InChIKeyLTSVRQRTHGIYJR-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile (CID 63912025) is 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile is CCNC(C#N)(CN(C)C1CCCC(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile?
The InChIKey is LTSVRQRTHGIYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-18-16(11-17,14-8-9-14)12-19(3)15-7-5-6-13(2)10-15/h13-15,18H,4-10,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile?
2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile has a molecular weight of 263.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile is sourced from PubChem (CID 63912025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).