3-amino-2-(2-methylpropyl)hexanenitrile

C10H20N2 — CID 137427514

IUPAC3-amino-2-(2-methylpropyl)hexanenitrile
SMILESCCCC(N)C(C#N)CC(C)C
InChIInChI=1S/C10H20N2/c1-4-5-10(12)9(7-11)6-8(2)3/h8-10H,4-6,12H2,1-3H3
InChIKeyLIDBZWFHNKRSCE-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-2-(2-methylpropyl)hexanenitrile

3-amino-2-(2-methylpropyl)hexanenitrile (PubChem CID 137427514) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-amino-2-(2-methylpropyl)hexanenitrile.

Molecular Properties

Compound Name3-amino-2-(2-methylpropyl)hexanenitrile
PubChem CID137427514
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-amino-2-(2-methylpropyl)hexanenitrile
SMILESCCCC(N)C(C#N)CC(C)C
InChIInChI=1S/C10H20N2/c1-4-5-10(12)9(7-11)6-8(2)3/h8-10H,4-6,12H2,1-3H3
InChIKeyLIDBZWFHNKRSCE-UHFFFAOYSA-N
XLogP2.30
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-dimethyloctan-4-amine
CID 83047107
2-(difluoromethyl)-4-methylpentanenitrile
CID 105429015
(2S,3R)-3-methyl-2-propylhexanenitrile
CID 89095709
(4R,5R)-octane-4,5-diamine
CID 13138963
ethyl (3R)-3-cyano-2-ethyl-5-methylhexanoate
CID 58052006
ethyl 2-acetyl-3-cyano-5-methylhexanoate
CID 58332766
sodium;(3S)-3-cyano-2-ethoxycarbonyl-5-methylhexanoic acid;hydride
CID 173003333
2-(1-cyano-3-methylbutyl)propanedioic acid
CID 11651328
(3S)-3-hydroxy-2-propylhexanenitrile
CID 176920962
2-(1-hydroxybutyl)-10-methylundecanenitrile
CID 175333216
ethane;6-methyl-4-propylheptanenitrile
CID 177048602
(2S)-2,4-dimethylpentanenitrile
CID 121493485

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylpropyl)hexanenitrile?
The IUPAC name of 3-amino-2-(2-methylpropyl)hexanenitrile (CID 137427514) is 3-amino-2-(2-methylpropyl)hexanenitrile.
What is the SMILES notation for 3-amino-2-(2-methylpropyl)hexanenitrile?
The canonical SMILES for 3-amino-2-(2-methylpropyl)hexanenitrile is CCCC(N)C(C#N)CC(C)C.
What is the InChIKey of 3-amino-2-(2-methylpropyl)hexanenitrile?
The InChIKey is LIDBZWFHNKRSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-10(12)9(7-11)6-8(2)3/h8-10H,4-6,12H2,1-3H3.
What are the key properties of 3-amino-2-(2-methylpropyl)hexanenitrile?
3-amino-2-(2-methylpropyl)hexanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylpropyl)hexanenitrile is sourced from PubChem (CID 137427514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).