2-N-butyl-2-methylpropane-1,2-diamine

C8H20N2 — CID 3039391

IUPAC2-N-butyl-2-methylpropane-1,2-diamine
SMILESCCCCNC(C)(C)CN
InChIInChI=1S/C8H20N2/c1-4-5-6-10-8(2,3)7-9/h10H,4-7,9H2,1-3H3
InChIKeyURCVHPQQWPAVGB-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds5

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

2-N-butyl-2-methylpropane-1,2-diamine (PubChem CID 3039391) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-N-butyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-methylpropane-1,2-diamine
PubChem CID3039391
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2-N-butyl-2-methylpropane-1,2-diamine
SMILESCCCCNC(C)(C)CN
InChIInChI=1S/C8H20N2/c1-4-5-6-10-8(2,3)7-9/h10H,4-7,9H2,1-3H3
InChIKeyURCVHPQQWPAVGB-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-butyl-2-methylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-methylpropane-1,2-diamine (CID 3039391) is 2-N-butyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-methylpropane-1,2-diamine is CCCCNC(C)(C)CN.
What is the InChIKey of 2-N-butyl-2-methylpropane-1,2-diamine?
The InChIKey is URCVHPQQWPAVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-5-6-10-8(2,3)7-9/h10H,4-7,9H2,1-3H3.
What are the key properties of 2-N-butyl-2-methylpropane-1,2-diamine?
2-N-butyl-2-methylpropane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 3039391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).