2-methyl-3-[methyl(pentyl)amino]propanenitrile

C10H20N2 — CID 43294879

IUPAC2-methyl-3-[methyl(pentyl)amino]propanenitrile
SMILESCCCCCN(C)CC(C)C#N
InChIInChI=1S/C10H20N2/c1-4-5-6-7-12(3)9-10(2)8-11/h10H,4-7,9H2,1-3H3
InChIKeyMYTQGYJXGJNGMT-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.27
Rot. Bonds6

About 2-methyl-3-[methyl(pentyl)amino]propanenitrile

2-methyl-3-[methyl(pentyl)amino]propanenitrile (PubChem CID 43294879) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl(pentyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl(pentyl)amino]propanenitrile
PubChem CID43294879
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methyl-3-[methyl(pentyl)amino]propanenitrile
SMILESCCCCCN(C)CC(C)C#N
InChIInChI=1S/C10H20N2/c1-4-5-6-7-12(3)9-10(2)8-11/h10H,4-7,9H2,1-3H3
InChIKeyMYTQGYJXGJNGMT-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[[methyl(pentyl)amino]methyl]butanenitrile
CID 115254672
2-methyl-3-[methyl(3-methylsulfonylpropyl)amino]propanenitrile
CID 63191826
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
N-(2-chloropropyl)-N-methyldecan-1-amine
CID 63388081
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
2-methyl-3-[methyl(3-oxobutyl)amino]propanenitrile
CID 62051295
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile
CID 103179685
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(pentyl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl(pentyl)amino]propanenitrile (CID 43294879) is 2-methyl-3-[methyl(pentyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl(pentyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl(pentyl)amino]propanenitrile is CCCCCN(C)CC(C)C#N.
What is the InChIKey of 2-methyl-3-[methyl(pentyl)amino]propanenitrile?
The InChIKey is MYTQGYJXGJNGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-6-7-12(3)9-10(2)8-11/h10H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl(pentyl)amino]propanenitrile?
2-methyl-3-[methyl(pentyl)amino]propanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(pentyl)amino]propanenitrile is sourced from PubChem (CID 43294879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).