2-N-butyl-2-methylpentane-2,4-diamine

C10H24N2 — CID 12639046

IUPAC2-N-butyl-2-methylpentane-2,4-diamine
SMILESCCCCNC(C)(C)CC(C)N
InChIInChI=1S/C10H24N2/c1-5-6-7-12-10(3,4)8-9(2)11/h9,12H,5-8,11H2,1-4H3
InChIKeyGNBARLLWIAIBIR-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.89
Rot. Bonds6

About 2-N-butyl-2-methylpentane-2,4-diamine

2-N-butyl-2-methylpentane-2,4-diamine (PubChem CID 12639046) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-N-butyl-2-methylpentane-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-methylpentane-2,4-diamine
PubChem CID12639046
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2-N-butyl-2-methylpentane-2,4-diamine
SMILESCCCCNC(C)(C)CC(C)N
InChIInChI=1S/C10H24N2/c1-5-6-7-12-10(3,4)8-9(2)11/h9,12H,5-8,11H2,1-4H3
InChIKeyGNBARLLWIAIBIR-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
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-N-butyl-2-methylpentane-2,4-diamine?
The IUPAC name of 2-N-butyl-2-methylpentane-2,4-diamine (CID 12639046) is 2-N-butyl-2-methylpentane-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-methylpentane-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-methylpentane-2,4-diamine is CCCCNC(C)(C)CC(C)N.
What is the InChIKey of 2-N-butyl-2-methylpentane-2,4-diamine?
The InChIKey is GNBARLLWIAIBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-6-7-12-10(3,4)8-9(2)11/h9,12H,5-8,11H2,1-4H3.
What are the key properties of 2-N-butyl-2-methylpentane-2,4-diamine?
2-N-butyl-2-methylpentane-2,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-methylpentane-2,4-diamine is sourced from PubChem (CID 12639046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).