2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile

C15H28N2 — CID 115254710

IUPAC2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CN(C)CCC1CCCCC1
InChIInChI=1S/C15H28N2/c1-13(2)15(11-16)12-17(3)10-9-14-7-5-4-6-8-14/h13-15H,4-10,12H2,1-3H3
InChIKeyRMWHKPOBTDNICR-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.68
Rot. Bonds6

About 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile

2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile (PubChem CID 115254710) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile
PubChem CID115254710
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CN(C)CCC1CCCCC1
InChIInChI=1S/C15H28N2/c1-13(2)15(11-16)12-17(3)10-9-14-7-5-4-6-8-14/h13-15H,4-10,12H2,1-3H3
InChIKeyRMWHKPOBTDNICR-UHFFFAOYSA-N
XLogP3.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254419
3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
CID 115122463
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butanenitrile
CID 115254595
2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250462
3-methyl-2-[[methyl(pentyl)amino]methyl]butanenitrile
CID 115254672
3-[2-cyclobutylethyl(methyl)amino]propanenitrile
CID 115231300
2-(cyclobutylmethyl)-3-methylbutanenitrile
CID 116931782
2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115240935
4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
CID 115123154
1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
CID 111113332
3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine
CID 117040503
N-(2-cyclopentylethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115258134

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile?
The IUPAC name of 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile (CID 115254710) is 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile is CC(C)C(C#N)CN(C)CCC1CCCCC1.
What is the InChIKey of 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile?
The InChIKey is RMWHKPOBTDNICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(2)15(11-16)12-17(3)10-9-14-7-5-4-6-8-14/h13-15H,4-10,12H2,1-3H3.
What are the key properties of 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile?
2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile has a molecular weight of 236.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile is sourced from PubChem (CID 115254710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).