3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine

C11H27N3 — CID 123720355

IUPAC3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine
SMILESCCCCC(C)C(C(C)NC)N(C)N
InChIInChI=1S/C11H27N3/c1-6-7-8-9(2)11(14(5)12)10(3)13-4/h9-11,13H,6-8,12H2,1-5H3
InChIKeyPPJHFGMZBXTDHY-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.59
Rot. Bonds7

About 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine

3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine (PubChem CID 123720355) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine.

Molecular Properties

Compound Name3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine
PubChem CID123720355
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine
SMILESCCCCC(C)C(C(C)NC)N(C)N
InChIInChI=1S/C11H27N3/c1-6-7-8-9(2)11(14(5)12)10(3)13-4/h9-11,13H,6-8,12H2,1-5H3
InChIKeyPPJHFGMZBXTDHY-UHFFFAOYSA-N
XLogP1.59
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine?
The IUPAC name of 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine (CID 123720355) is 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine.
What is the SMILES notation for 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine?
The canonical SMILES for 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine is CCCCC(C)C(C(C)NC)N(C)N.
What is the InChIKey of 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine?
The InChIKey is PPJHFGMZBXTDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-6-7-8-9(2)11(14(5)12)10(3)13-4/h9-11,13H,6-8,12H2,1-5H3.
What are the key properties of 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine?
3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine has a molecular weight of 201.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methyl)amino]-N,4-dimethyloctan-2-amine is sourced from PubChem (CID 123720355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).