N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine

C14H21N5 — CID 103085163

IUPACN-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
SMILESCCCc1ccc(-n2nnnc2C(C)NCC)cc1
InChIInChI=1S/C14H21N5/c1-4-6-12-7-9-13(10-8-12)19-14(16-17-18-19)11(3)15-5-2/h7-11,15H,4-6H2,1-3H3
InChIKeyZOZFLDQFVUAYQV-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.29
Rot. Bonds6

About N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine

N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine (PubChem CID 103085163) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
PubChem CID103085163
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
SMILESCCCc1ccc(-n2nnnc2C(C)NCC)cc1
InChIInChI=1S/C14H21N5/c1-4-6-12-7-9-13(10-8-12)19-14(16-17-18-19)11(3)15-5-2/h7-11,15H,4-6H2,1-3H3
InChIKeyZOZFLDQFVUAYQV-UHFFFAOYSA-N
XLogP2.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-[1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084961
1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086450
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]-N-ethylethanamine
CID 103084725
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086789
N-[1-[1-(4-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085127
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
CID 63199558
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084870
1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 107794149
1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085100

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine (CID 103085163) is N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine is CCCc1ccc(-n2nnnc2C(C)NCC)cc1.
What is the InChIKey of N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is ZOZFLDQFVUAYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-6-12-7-9-13(10-8-12)19-14(16-17-18-19)11(3)15-5-2/h7-11,15H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).