N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine

C10H22N2 — CID 80544169

IUPACN-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNC1CC1(C)C
InChIInChI=1S/C10H22N2/c1-8(4-5-11)7-12-9-6-10(9,2)3/h8-9,12H,4-7,11H2,1-3H3
InChIKeyWZMFQNJEBJODOW-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds5

About N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine

N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine (PubChem CID 80544169) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine
PubChem CID80544169
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNC1CC1(C)C
InChIInChI=1S/C10H22N2/c1-8(4-5-11)7-12-9-6-10(9,2)3/h8-9,12H,4-7,11H2,1-3H3
InChIKeyWZMFQNJEBJODOW-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-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 N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine (CID 80544169) is N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine is CC(CCN)CNC1CC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine?
The InChIKey is WZMFQNJEBJODOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(4-5-11)7-12-9-6-10(9,2)3/h8-9,12H,4-7,11H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine?
N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 80544169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).