1-N-(5-methylhexyl)butane-1,2-diamine

C11H26N2 — CID 57019283

IUPAC1-N-(5-methylhexyl)butane-1,2-diamine
SMILESCCC(N)CNCCCCC(C)C
InChIInChI=1S/C11H26N2/c1-4-11(12)9-13-8-6-5-7-10(2)3/h10-11,13H,4-9,12H2,1-3H3
InChIKeyOVCGREGVJBMWBC-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.14
Rot. Bonds8

About 1-N-(5-methylhexyl)butane-1,2-diamine

1-N-(5-methylhexyl)butane-1,2-diamine (PubChem CID 57019283) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N-(5-methylhexyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-methylhexyl)butane-1,2-diamine
PubChem CID57019283
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N-(5-methylhexyl)butane-1,2-diamine
SMILESCCC(N)CNCCCCC(C)C
InChIInChI=1S/C11H26N2/c1-4-11(12)9-13-8-6-5-7-10(2)3/h10-11,13H,4-9,12H2,1-3H3
InChIKeyOVCGREGVJBMWBC-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.14
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 1-N-(5-methylhexyl)butane-1,2-diamine?
The IUPAC name of 1-N-(5-methylhexyl)butane-1,2-diamine (CID 57019283) is 1-N-(5-methylhexyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(5-methylhexyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(5-methylhexyl)butane-1,2-diamine is CCC(N)CNCCCCC(C)C.
What is the InChIKey of 1-N-(5-methylhexyl)butane-1,2-diamine?
The InChIKey is OVCGREGVJBMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-11(12)9-13-8-6-5-7-10(2)3/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 1-N-(5-methylhexyl)butane-1,2-diamine?
1-N-(5-methylhexyl)butane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methylhexyl)butane-1,2-diamine is sourced from PubChem (CID 57019283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).