2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile

C14H24N2 — CID 55026446

IUPAC2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N(C)CC2CC2)C1
InChIInChI=1S/C14H24N2/c1-3-11-6-7-13(9-15)14(8-11)16(2)10-12-4-5-12/h11-14H,3-8,10H2,1-2H3
InChIKeyPPXKMWAWUIBMER-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.05
Rot. Bonds4

About 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile

2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile (PubChem CID 55026446) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
PubChem CID55026446
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N(C)CC2CC2)C1
InChIInChI=1S/C14H24N2/c1-3-11-6-7-13(9-15)14(8-11)16(2)10-12-4-5-12/h11-14H,3-8,10H2,1-2H3
InChIKeyPPXKMWAWUIBMER-UHFFFAOYSA-N
XLogP3.05
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile (CID 55026446) is 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N(C)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is PPXKMWAWUIBMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-11-6-7-13(9-15)14(8-11)16(2)10-12-4-5-12/h11-14H,3-8,10H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile?
2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 55026446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).