2-amino-2-methylnonanenitrile

C10H20N2 — CID 43130164

IUPAC2-amino-2-methylnonanenitrile
SMILESCCCCCCCC(C)(N)C#N
InChIInChI=1S/C10H20N2/c1-3-4-5-6-7-8-10(2,12)9-11/h3-8,12H2,1-2H3
InChIKeyNXCLUXHNZKHVFT-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-2-methylnonanenitrile

2-amino-2-methylnonanenitrile (PubChem CID 43130164) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-amino-2-methylnonanenitrile.

Molecular Properties

Compound Name2-amino-2-methylnonanenitrile
PubChem CID43130164
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-amino-2-methylnonanenitrile
SMILESCCCCCCCC(C)(N)C#N
InChIInChI=1S/C10H20N2/c1-3-4-5-6-7-8-10(2,12)9-11/h3-8,12H2,1-2H3
InChIKeyNXCLUXHNZKHVFT-UHFFFAOYSA-N
XLogP2.59
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylnonanenitrile?
The IUPAC name of 2-amino-2-methylnonanenitrile (CID 43130164) is 2-amino-2-methylnonanenitrile.
What is the SMILES notation for 2-amino-2-methylnonanenitrile?
The canonical SMILES for 2-amino-2-methylnonanenitrile is CCCCCCCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methylnonanenitrile?
The InChIKey is NXCLUXHNZKHVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-5-6-7-8-10(2,12)9-11/h3-8,12H2,1-2H3.
What are the key properties of 2-amino-2-methylnonanenitrile?
2-amino-2-methylnonanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylnonanenitrile is sourced from PubChem (CID 43130164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).