1-N-hexyl-2-methylpropane-1,2-diamine

C10H24N2 — CID 21278317

IUPAC1-N-hexyl-2-methylpropane-1,2-diamine
SMILESCCCCCCNCC(C)(C)N
InChIInChI=1S/C10H24N2/c1-4-5-6-7-8-12-9-10(2,3)11/h12H,4-9,11H2,1-3H3
InChIKeyOGRIVWSLGIGFCS-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.89
Rot. Bonds7

About 1-N-hexyl-2-methylpropane-1,2-diamine

1-N-hexyl-2-methylpropane-1,2-diamine (PubChem CID 21278317) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N-hexyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-hexyl-2-methylpropane-1,2-diamine
PubChem CID21278317
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N-hexyl-2-methylpropane-1,2-diamine
SMILESCCCCCCNCC(C)(C)N
InChIInChI=1S/C10H24N2/c1-4-5-6-7-8-12-9-10(2,3)11/h12H,4-9,11H2,1-3H3
InChIKeyOGRIVWSLGIGFCS-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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 1-N-hexyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-hexyl-2-methylpropane-1,2-diamine (CID 21278317) is 1-N-hexyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-hexyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-hexyl-2-methylpropane-1,2-diamine is CCCCCCNCC(C)(C)N.
What is the InChIKey of 1-N-hexyl-2-methylpropane-1,2-diamine?
The InChIKey is OGRIVWSLGIGFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-5-6-7-8-12-9-10(2,3)11/h12H,4-9,11H2,1-3H3.
What are the key properties of 1-N-hexyl-2-methylpropane-1,2-diamine?
1-N-hexyl-2-methylpropane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hexyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 21278317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).