4-[methyl(pentan-2-yl)amino]butanenitrile

C10H20N2 — CID 43430773

IUPAC4-[methyl(pentan-2-yl)amino]butanenitrile
SMILESCCCC(C)N(C)CCCC#N
InChIInChI=1S/C10H20N2/c1-4-7-10(2)12(3)9-6-5-8-11/h10H,4-7,9H2,1-3H3
InChIKeyBCUACXFVSPEEFA-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.41
Rot. Bonds6

About 4-[methyl(pentan-2-yl)amino]butanenitrile

4-[methyl(pentan-2-yl)amino]butanenitrile (PubChem CID 43430773) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-[methyl(pentan-2-yl)amino]butanenitrile.

Molecular Properties

Compound Name4-[methyl(pentan-2-yl)amino]butanenitrile
PubChem CID43430773
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-[methyl(pentan-2-yl)amino]butanenitrile
SMILESCCCC(C)N(C)CCCC#N
InChIInChI=1S/C10H20N2/c1-4-7-10(2)12(3)9-6-5-8-11/h10H,4-7,9H2,1-3H3
InChIKeyBCUACXFVSPEEFA-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentan-2-yl)amino]butanenitrile?
The IUPAC name of 4-[methyl(pentan-2-yl)amino]butanenitrile (CID 43430773) is 4-[methyl(pentan-2-yl)amino]butanenitrile.
What is the SMILES notation for 4-[methyl(pentan-2-yl)amino]butanenitrile?
The canonical SMILES for 4-[methyl(pentan-2-yl)amino]butanenitrile is CCCC(C)N(C)CCCC#N.
What is the InChIKey of 4-[methyl(pentan-2-yl)amino]butanenitrile?
The InChIKey is BCUACXFVSPEEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-7-10(2)12(3)9-6-5-8-11/h10H,4-7,9H2,1-3H3.
What are the key properties of 4-[methyl(pentan-2-yl)amino]butanenitrile?
4-[methyl(pentan-2-yl)amino]butanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentan-2-yl)amino]butanenitrile is sourced from PubChem (CID 43430773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).