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

C10H20N2 — CID 83156286

IUPAC3-[methyl(4-methylpentyl)amino]propanenitrile
SMILESCC(C)CCCN(C)CCC#N
InChIInChI=1S/C10H20N2/c1-10(2)6-4-8-12(3)9-5-7-11/h10H,4-6,8-9H2,1-3H3
InChIKeyUYXKANNEFDVVIP-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.27
Rot. Bonds6

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

3-[methyl(4-methylpentyl)amino]propanenitrile (PubChem CID 83156286) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-[methyl(4-methylpentyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(4-methylpentyl)amino]propanenitrile
PubChem CID83156286
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-[methyl(4-methylpentyl)amino]propanenitrile
SMILESCC(C)CCCN(C)CCC#N
InChIInChI=1S/C10H20N2/c1-10(2)6-4-8-12(3)9-5-7-11/h10H,4-6,8-9H2,1-3H3
InChIKeyUYXKANNEFDVVIP-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

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(4-methylpentyl)amino]propanenitrile?
The IUPAC name of 3-[methyl(4-methylpentyl)amino]propanenitrile (CID 83156286) is 3-[methyl(4-methylpentyl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(4-methylpentyl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(4-methylpentyl)amino]propanenitrile is CC(C)CCCN(C)CCC#N.
What is the InChIKey of 3-[methyl(4-methylpentyl)amino]propanenitrile?
The InChIKey is UYXKANNEFDVVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2)6-4-8-12(3)9-5-7-11/h10H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[methyl(4-methylpentyl)amino]propanenitrile?
3-[methyl(4-methylpentyl)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 3-[methyl(4-methylpentyl)amino]propanenitrile is sourced from PubChem (CID 83156286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).