2-methylheptan-2-amine

C8H19N — CID 518121

IUPAC2-methylheptan-2-amine
SMILESCCCCCC(C)(C)N
InChIInChI=1S/C8H19N/c1-4-5-6-7-8(2,3)9/h4-7,9H2,1-3H3
InChIKeyXGDOCEUIQYYJDC-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.30
Rot. Bonds4

About 2-methylheptan-2-amine

2-methylheptan-2-amine (PubChem CID 518121) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 2-methylheptan-2-amine.

Molecular Properties

Compound Name2-methylheptan-2-amine
PubChem CID518121
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name2-methylheptan-2-amine
SMILESCCCCCC(C)(C)N
InChIInChI=1S/C8H19N/c1-4-5-6-7-8(2,3)9/h4-7,9H2,1-3H3
InChIKeyXGDOCEUIQYYJDC-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.30
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-methylheptan-2-amine?
The IUPAC name of 2-methylheptan-2-amine (CID 518121) is 2-methylheptan-2-amine.
What is the SMILES notation for 2-methylheptan-2-amine?
The canonical SMILES for 2-methylheptan-2-amine is CCCCCC(C)(C)N.
What is the InChIKey of 2-methylheptan-2-amine?
The InChIKey is XGDOCEUIQYYJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-4-5-6-7-8(2,3)9/h4-7,9H2,1-3H3.
What are the key properties of 2-methylheptan-2-amine?
2-methylheptan-2-amine has a molecular weight of 129.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptan-2-amine is sourced from PubChem (CID 518121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).