N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

C10H17N7 — CID 62956864

IUPACN-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCCCn1ccnc1CNC(C)c1nn[nH]n1
InChIInChI=1S/C10H17N7/c1-3-5-17-6-4-11-9(17)7-12-8(2)10-13-15-16-14-10/h4,6,8,12H,3,5,7H2,1-2H3,(H,13,14,15,16)
InChIKeyZYJPHLIFMRVZFE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.66
Rot. Bonds6

About N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine

N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (PubChem CID 62956864) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
PubChem CID62956864
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
SMILESCCCn1ccnc1CNC(C)c1nn[nH]n1
InChIInChI=1S/C10H17N7/c1-3-5-17-6-4-11-9(17)7-12-8(2)10-13-15-16-14-10/h4,6,8,12H,3,5,7H2,1-2H3,(H,13,14,15,16)
InChIKeyZYJPHLIFMRVZFE-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine
CID 62957038
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956669
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
1-(2,5-dimethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956848
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 79237242
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
CID 62956131
1-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
CID 62956125
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221280

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (CID 62956864) is N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is CCCn1ccnc1CNC(C)c1nn[nH]n1.
What is the InChIKey of N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is ZYJPHLIFMRVZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-3-5-17-6-4-11-9(17)7-12-8(2)10-13-15-16-14-10/h4,6,8,12H,3,5,7H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine?
N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 235.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 62956864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).