3-[methyl(4-methylpentyl)amino]butanenitrile

C11H22N2 — CID 83155678

IUPAC3-[methyl(4-methylpentyl)amino]butanenitrile
SMILESCC(C)CCCN(C)C(C)CC#N
InChIInChI=1S/C11H22N2/c1-10(2)6-5-9-13(4)11(3)7-8-12/h10-11H,5-7,9H2,1-4H3
InChIKeyKXTBGNJRIRKFTR-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.66
Rot. Bonds6

About 3-[methyl(4-methylpentyl)amino]butanenitrile

3-[methyl(4-methylpentyl)amino]butanenitrile (PubChem CID 83155678) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-[methyl(4-methylpentyl)amino]butanenitrile.

Molecular Properties

Compound Name3-[methyl(4-methylpentyl)amino]butanenitrile
PubChem CID83155678
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-[methyl(4-methylpentyl)amino]butanenitrile
SMILESCC(C)CCCN(C)C(C)CC#N
InChIInChI=1S/C11H22N2/c1-10(2)6-5-9-13(4)11(3)7-8-12/h10-11H,5-7,9H2,1-4H3
InChIKeyKXTBGNJRIRKFTR-UHFFFAOYSA-N
XLogP2.66
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[dodecyl(methyl)amino]butanenitrile
CID 63517586
3-[5-hydroxypentyl(methyl)amino]butanenitrile
CID 63223622
3-[2-aminoethyl(methyl)amino]butanenitrile
CID 62687203
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile
CID 103908563
3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile
CID 115254673
3-[2-(2-chloroethoxy)ethyl-methylamino]butanenitrile
CID 63666896
3-[2-tert-butylsulfonylethyl(methyl)amino]butanenitrile
CID 103760879
N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine
CID 162353486
3-[[4-(4-bromophenyl)-4-oxobutyl]-methylamino]butanenitrile
CID 63222935
6-methylheptanenitrile
CID 22036153

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(4-methylpentyl)amino]butanenitrile?
The IUPAC name of 3-[methyl(4-methylpentyl)amino]butanenitrile (CID 83155678) is 3-[methyl(4-methylpentyl)amino]butanenitrile.
What is the SMILES notation for 3-[methyl(4-methylpentyl)amino]butanenitrile?
The canonical SMILES for 3-[methyl(4-methylpentyl)amino]butanenitrile is CC(C)CCCN(C)C(C)CC#N.
What is the InChIKey of 3-[methyl(4-methylpentyl)amino]butanenitrile?
The InChIKey is KXTBGNJRIRKFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)6-5-9-13(4)11(3)7-8-12/h10-11H,5-7,9H2,1-4H3.
What are the key properties of 3-[methyl(4-methylpentyl)amino]butanenitrile?
3-[methyl(4-methylpentyl)amino]butanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(4-methylpentyl)amino]butanenitrile is sourced from PubChem (CID 83155678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).