N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

C14H21N5 — CID 103084870

IUPACN-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1cccc(CC)c1
InChIInChI=1S/C14H21N5/c1-4-9-15-11(3)14-16-17-18-19(14)13-8-6-7-12(5-2)10-13/h6-8,10-11,15H,4-5,9H2,1-3H3
InChIKeyNTJDJEKOBSOLNQ-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.29
Rot. Bonds6

About N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103084870) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103084870
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1-c1cccc(CC)c1
InChIInChI=1S/C14H21N5/c1-4-9-15-11(3)14-16-17-18-19(14)13-8-6-7-12(5-2)10-13/h6-8,10-11,15H,4-5,9H2,1-3H3
InChIKeyNTJDJEKOBSOLNQ-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-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084748
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
N-[1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084961
N-[1-[1-(4-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085127
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 107603626
N-[1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084921
[3-[1-(1-phenyltetrazol-5-yl)ethylamino]phenyl]methanol
CID 111477782
N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085104
N-[1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671189

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103084870) is N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1-c1cccc(CC)c1.
What is the InChIKey of N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is NTJDJEKOBSOLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-9-15-11(3)14-16-17-18-19(14)13-8-6-7-12(5-2)10-13/h6-8,10-11,15H,4-5,9H2,1-3H3.
What are the key properties of N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine 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-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103084870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).