N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine

C13H24N4 — CID 56701558

IUPACN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine
SMILESCC(C)Cn1cncc1CNC1CCCNC1
InChIInChI=1S/C13H24N4/c1-11(2)9-17-10-15-7-13(17)8-16-12-4-3-5-14-6-12/h7,10-12,14,16H,3-6,8-9H2,1-2H3
InChIKeyYCKHGMDQXHGUCL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds5

About N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine

N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine (PubChem CID 56701558) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine
PubChem CID56701558
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine
SMILESCC(C)Cn1cncc1CNC1CCCNC1
InChIInChI=1S/C13H24N4/c1-11(2)9-17-10-15-7-13(17)8-16-12-4-3-5-14-6-12/h7,10-12,14,16H,3-6,8-9H2,1-2H3
InChIKeyYCKHGMDQXHGUCL-UHFFFAOYSA-N
XLogP1.38
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine 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-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine?
The IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine (CID 56701558) is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine.
What is the SMILES notation for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine?
The canonical SMILES for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine is CC(C)Cn1cncc1CNC1CCCNC1.
What is the InChIKey of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine?
The InChIKey is YCKHGMDQXHGUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)9-17-10-15-7-13(17)8-16-12-4-3-5-14-6-12/h7,10-12,14,16H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine?
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 56701558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).