2-amino-2-methylheptanenitrile

C8H16N2 — CID 6453656

IUPAC2-amino-2-methylheptanenitrile
SMILESCCCCCC(C)(N)C#N
InChIInChI=1S/C8H16N2/c1-3-4-5-6-8(2,10)7-9/h3-6,10H2,1-2H3
InChIKeyRCJOBLVEKCLVPT-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.81
Rot. Bonds4

About 2-amino-2-methylheptanenitrile

2-amino-2-methylheptanenitrile (PubChem CID 6453656) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-amino-2-methylheptanenitrile.

Molecular Properties

Compound Name2-amino-2-methylheptanenitrile
PubChem CID6453656
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-amino-2-methylheptanenitrile
SMILESCCCCCC(C)(N)C#N
InChIInChI=1S/C8H16N2/c1-3-4-5-6-8(2,10)7-9/h3-6,10H2,1-2H3
InChIKeyRCJOBLVEKCLVPT-UHFFFAOYSA-N
XLogP1.81
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.81
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-methylheptanenitrile?
The IUPAC name of 2-amino-2-methylheptanenitrile (CID 6453656) is 2-amino-2-methylheptanenitrile.
What is the SMILES notation for 2-amino-2-methylheptanenitrile?
The canonical SMILES for 2-amino-2-methylheptanenitrile is CCCCCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methylheptanenitrile?
The InChIKey is RCJOBLVEKCLVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-6-8(2,10)7-9/h3-6,10H2,1-2H3.
What are the key properties of 2-amino-2-methylheptanenitrile?
2-amino-2-methylheptanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylheptanenitrile is sourced from PubChem (CID 6453656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).