2-amino-2-methyloctanenitrile

C9H18N2 — CID 18913428

IUPAC2-amino-2-methyloctanenitrile
SMILESCCCCCCC(C)(N)C#N
InChIInChI=1S/C9H18N2/c1-3-4-5-6-7-9(2,11)8-10/h3-7,11H2,1-2H3
InChIKeyDEINIVPBPSLUMF-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.20
Rot. Bonds5

About 2-amino-2-methyloctanenitrile

2-amino-2-methyloctanenitrile (PubChem CID 18913428) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-amino-2-methyloctanenitrile.

Molecular Properties

Compound Name2-amino-2-methyloctanenitrile
PubChem CID18913428
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-amino-2-methyloctanenitrile
SMILESCCCCCCC(C)(N)C#N
InChIInChI=1S/C9H18N2/c1-3-4-5-6-7-9(2,11)8-10/h3-7,11H2,1-2H3
InChIKeyDEINIVPBPSLUMF-UHFFFAOYSA-N
XLogP2.20
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Undecanamine, 2-methyl-
CID 109196
Heptanenitrile, 2-amino-2-methyl-
CID 6453656
1-Aminocycloheptane-1-carbonitrile
CID 14221139
Dimethyldodecanamine
CID 10262644
(1,1-Dimethyl-nonyl)-amine
CID 22341686
2-Amino-2-methylhexanenitrile
CID 21394074
2-Methylnonan-2-amine
CID 41751
2-Methyloctan-2-amine
CID 13443612
2-Methyl-2-dodecanamine
CID 13685710
2,7-Dimethyloctane-2,7-diamine
CID 20035725
2-Amino-2-butylhexanenitrile
CID 24813765
1-Amino-4-ethylcyclohexane-1-carbonitrile
CID 16787488

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyloctanenitrile?
The IUPAC name of 2-amino-2-methyloctanenitrile (CID 18913428) is 2-amino-2-methyloctanenitrile.
What is the SMILES notation for 2-amino-2-methyloctanenitrile?
The canonical SMILES for 2-amino-2-methyloctanenitrile is CCCCCCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methyloctanenitrile?
The InChIKey is DEINIVPBPSLUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-5-6-7-9(2,11)8-10/h3-7,11H2,1-2H3.
What are the key properties of 2-amino-2-methyloctanenitrile?
2-amino-2-methyloctanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyloctanenitrile is sourced from PubChem (CID 18913428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).