2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine

C10H17N7 — CID 114204100

IUPAC2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(Cc2nn[nH]n2)cn1
InChIInChI=1S/C10H17N7/c1-8(2)3-11-4-9-5-17(7-12-9)6-10-13-15-16-14-10/h5,7-8,11H,3-4,6H2,1-2H3,(H,13,14,15,16)
InChIKeyNTTZCCYXHBBKOA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.19
Rot. Bonds6

About 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 114204100) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID114204100
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(Cc2nn[nH]n2)cn1
InChIInChI=1S/C10H17N7/c1-8(2)3-11-4-9-5-17(7-12-9)6-10-13-15-16-14-10/h5,7-8,11H,3-4,6H2,1-2H3,(H,13,14,15,16)
InChIKeyNTTZCCYXHBBKOA-UHFFFAOYSA-N
XLogP0.19
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-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

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 106720013
2-methyl-N-[[1-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720145
N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine
CID 114204186
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720070
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720260
3-chloro-4-[[4-[(2-methylpropylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 106720186
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 114204585
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718824
N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 114204098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine (CID 114204100) is 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cn(Cc2nn[nH]n2)cn1.
What is the InChIKey of 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is NTTZCCYXHBBKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-8(2)3-11-4-9-5-17(7-12-9)6-10-13-15-16-14-10/h5,7-8,11H,3-4,6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114204100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).