1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine

C15H22N6 — CID 65074659

IUPAC1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine
SMILESCCN1CCCC(Nc2ccccc2-n2cnnn2)CC1
InChIInChI=1S/C15H22N6/c1-2-20-10-5-6-13(9-11-20)17-14-7-3-4-8-15(14)21-12-16-18-19-21/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3
InChIKeyFPQWUVVLSHSNAH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds4

About 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine

1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine (PubChem CID 65074659) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine
PubChem CID65074659
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine
SMILESCCN1CCCC(Nc2ccccc2-n2cnnn2)CC1
InChIInChI=1S/C15H22N6/c1-2-20-10-5-6-13(9-11-20)17-14-7-3-4-8-15(14)21-12-16-18-19-21/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3
InChIKeyFPQWUVVLSHSNAH-UHFFFAOYSA-N
XLogP1.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine
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N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
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N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
CID 55096519
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702094
1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine
CID 65073239
1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
CID 60934851
N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
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N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 61061859

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine?
The IUPAC name of 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine (CID 65074659) is 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine?
The canonical SMILES for 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine is CCN1CCCC(Nc2ccccc2-n2cnnn2)CC1.
What is the InChIKey of 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine?
The InChIKey is FPQWUVVLSHSNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-20-10-5-6-13(9-11-20)17-14-7-3-4-8-15(14)21-12-16-18-19-21/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3.
What are the key properties of 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine?
1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine has a molecular weight of 286.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine is sourced from PubChem (CID 65074659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).