N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine

C14H19N5 — CID 62763671

IUPACN-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccccc1C(C)n1nnnc1CNC1CC1
InChIInChI=1S/C14H19N5/c1-10-5-3-4-6-13(10)11(2)19-14(16-17-18-19)9-15-12-7-8-12/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyOABYLQZXAQQSCE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.84
Rot. Bonds5

About N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62763671) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62763671
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccccc1C(C)n1nnnc1CNC1CC1
InChIInChI=1S/C14H19N5/c1-10-5-3-4-6-13(10)11(2)19-14(16-17-18-19)9-15-12-7-8-12/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyOABYLQZXAQQSCE-UHFFFAOYSA-N
XLogP1.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine (CID 62763671) is N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine is Cc1ccccc1C(C)n1nnnc1CNC1CC1.
What is the InChIKey of N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is OABYLQZXAQQSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-5-3-4-6-13(10)11(2)19-14(16-17-18-19)9-15-12-7-8-12/h3-6,11-12,15H,7-9H2,1-2H3.
What are the key properties of N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 257.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62763671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).