2-methyloctan-2-amine

C9H21N — CID 13443612

IUPAC2-methyloctan-2-amine
SMILESCCCCCCC(C)(C)N
InChIInChI=1S/C9H21N/c1-4-5-6-7-8-9(2,3)10/h4-8,10H2,1-3H3
InChIKeyOHMXXZIUOWNPRG-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.69
Rot. Bonds5

About 2-methyloctan-2-amine

2-methyloctan-2-amine (PubChem CID 13443612) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 2-methyloctan-2-amine.

Molecular Properties

Compound Name2-methyloctan-2-amine
PubChem CID13443612
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name2-methyloctan-2-amine
SMILESCCCCCCC(C)(C)N
InChIInChI=1S/C9H21N/c1-4-5-6-7-8-9(2,3)10/h4-8,10H2,1-3H3
InChIKeyOHMXXZIUOWNPRG-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyloctan-2-amine?
The IUPAC name of 2-methyloctan-2-amine (CID 13443612) is 2-methyloctan-2-amine.
What is the SMILES notation for 2-methyloctan-2-amine?
The canonical SMILES for 2-methyloctan-2-amine is CCCCCCC(C)(C)N.
What is the InChIKey of 2-methyloctan-2-amine?
The InChIKey is OHMXXZIUOWNPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-5-6-7-8-9(2,3)10/h4-8,10H2,1-3H3.
What are the key properties of 2-methyloctan-2-amine?
2-methyloctan-2-amine has a molecular weight of 143.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctan-2-amine is sourced from PubChem (CID 13443612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).