3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile

C13H26N2 — CID 115254673

IUPAC3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile
SMILESCC(C)CCCN(C)CC(C#N)C(C)C
InChIInChI=1S/C13H26N2/c1-11(2)7-6-8-15(5)10-13(9-14)12(3)4/h11-13H,6-8,10H2,1-5H3
InChIKeyCKEHUDZBVIMTOQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.15
Rot. Bonds7

About 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile

3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile (PubChem CID 115254673) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile.

Molecular Properties

Compound Name3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile
PubChem CID115254673
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile
SMILESCC(C)CCCN(C)CC(C#N)C(C)C
InChIInChI=1S/C13H26N2/c1-11(2)7-6-8-15(5)10-13(9-14)12(3)4/h11-13H,6-8,10H2,1-5H3
InChIKeyCKEHUDZBVIMTOQ-UHFFFAOYSA-N
XLogP3.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[methyl(pentyl)amino]methyl]butanenitrile
CID 115254672
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254710
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
3-[methyl(4-methylpentyl)amino]butanenitrile
CID 83155678
2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254701
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
1-[[methyl(4-methylpentyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242561
2-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254681
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
2-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254684

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile?
The IUPAC name of 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile (CID 115254673) is 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile.
What is the SMILES notation for 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile?
The canonical SMILES for 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile is CC(C)CCCN(C)CC(C#N)C(C)C.
What is the InChIKey of 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile?
The InChIKey is CKEHUDZBVIMTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)7-6-8-15(5)10-13(9-14)12(3)4/h11-13H,6-8,10H2,1-5H3.
What are the key properties of 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile?
3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile has a molecular weight of 210.36 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl(4-methylpentyl)amino]methyl]butanenitrile is sourced from PubChem (CID 115254673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).