2-tert-butyl-3,3-dimethylbutane-1,2-diamine

C10H24N2 — CID 23439592

IUPAC2-tert-butyl-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(N)(CN)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(2,3)10(12,7-11)9(4,5)6/h7,11-12H2,1-6H3
InChIKeyARWNWZKLQNRFQD-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.73
Rot. Bonds1

About 2-tert-butyl-3,3-dimethylbutane-1,2-diamine

2-tert-butyl-3,3-dimethylbutane-1,2-diamine (PubChem CID 23439592) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-tert-butyl-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-tert-butyl-3,3-dimethylbutane-1,2-diamine
PubChem CID23439592
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2-tert-butyl-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(N)(CN)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(2,3)10(12,7-11)9(4,5)6/h7,11-12H2,1-6H3
InChIKeyARWNWZKLQNRFQD-UHFFFAOYSA-N
XLogP1.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-3,3-dimethylbutane-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-tert-butyl-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-tert-butyl-3,3-dimethylbutane-1,2-diamine (CID 23439592) is 2-tert-butyl-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-tert-butyl-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-tert-butyl-3,3-dimethylbutane-1,2-diamine is CC(C)(C)C(N)(CN)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3,3-dimethylbutane-1,2-diamine?
The InChIKey is ARWNWZKLQNRFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-8(2,3)10(12,7-11)9(4,5)6/h7,11-12H2,1-6H3.
What are the key properties of 2-tert-butyl-3,3-dimethylbutane-1,2-diamine?
2-tert-butyl-3,3-dimethylbutane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 23439592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).