N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine

C13H17N5 — CID 55109524

IUPACN-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCCc1ccc(-n2nnnc2CNC2CC2)cc1
InChIInChI=1S/C13H17N5/c1-2-10-3-7-12(8-4-10)18-13(15-16-17-18)9-14-11-5-6-11/h3-4,7-8,11,14H,2,5-6,9H2,1H3
InChIKeyTYQQZHOXNQOBDH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.48
Rot. Bonds5

About N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 55109524) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID55109524
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCCc1ccc(-n2nnnc2CNC2CC2)cc1
InChIInChI=1S/C13H17N5/c1-2-10-3-7-12(8-4-10)18-13(15-16-17-18)9-14-11-5-6-11/h3-4,7-8,11,14H,2,5-6,9H2,1H3
InChIKeyTYQQZHOXNQOBDH-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine
CID 62762601
N-[(1-phenyltetrazol-5-yl)methyl]thian-4-amine
CID 115595882
N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114262381
N-[[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 107617080
N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737024
N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737963
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340139
N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79771892
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737390
6-[(cyclopropylamino)methyl]-2-(4-ethylphenyl)-5-hydroxypyridazin-3-one
CID 82421061

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 55109524) is N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine is CCc1ccc(-n2nnnc2CNC2CC2)cc1.
What is the InChIKey of N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is TYQQZHOXNQOBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-10-3-7-12(8-4-10)18-13(15-16-17-18)9-14-11-5-6-11/h3-4,7-8,11,14H,2,5-6,9H2,1H3.
What are the key properties of N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 243.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55109524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).