N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine

C13H26N4 — CID 107500807

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(Cc1cn(CCN)cn1)C(C)C
InChIInChI=1S/C13H26N4/c1-11(2)7-17(12(3)4)9-13-8-16(6-5-14)10-15-13/h8,10-12H,5-7,9,14H2,1-4H3
InChIKeyTWCYBGOGUNQMAO-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.71
Rot. Bonds7

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 107500807) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID107500807
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(Cc1cn(CCN)cn1)C(C)C
InChIInChI=1S/C13H26N4/c1-11(2)7-17(12(3)4)9-13-8-16(6-5-14)10-15-13/h8,10-12H,5-7,9,14H2,1-4H3
InChIKeyTWCYBGOGUNQMAO-UHFFFAOYSA-N
XLogP1.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107500820
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 107500803
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
CID 107500690
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine
CID 107500626
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107500896
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
CID 107501185
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine
CID 107815637
2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine
CID 107500773
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107501221
1-(2-aminoethyl)imidazol-4-amine
CID 96848259
2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500649

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 107500807) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)CN(Cc1cn(CCN)cn1)C(C)C.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is TWCYBGOGUNQMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11(2)7-17(12(3)4)9-13-8-16(6-5-14)10-15-13/h8,10-12H,5-7,9,14H2,1-4H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 107500807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).