2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C13H24N4 — CID 106566129

IUPAC2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1nccn1C1CC1
InChIInChI=1S/C13H24N4/c1-10(2)12(9-16(3)4)15-13-14-7-8-17(13)11-5-6-11/h7-8,10-12H,5-6,9H2,1-4H3,(H,14,15)
InChIKeySDUIBSMDCGCECR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.22
Rot. Bonds6

About 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 106566129) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID106566129
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1nccn1C1CC1
InChIInChI=1S/C13H24N4/c1-10(2)12(9-16(3)4)15-13-14-7-8-17(13)11-5-6-11/h7-8,10-12H,5-6,9H2,1-4H3,(H,14,15)
InChIKeySDUIBSMDCGCECR-UHFFFAOYSA-N
XLogP2.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-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-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 106566129) is 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)Nc1nccn1C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is SDUIBSMDCGCECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)12(9-16(3)4)15-13-14-7-8-17(13)11-5-6-11/h7-8,10-12H,5-6,9H2,1-4H3,(H,14,15).
What are the key properties of 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylimidazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 106566129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).