1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C13H23N5 — CID 107050933

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1nnn(C)n1
InChIInChI=1S/C13H23N5/c1-3-14-12(9-11-7-5-4-6-8-11)10-13-15-17-18(2)16-13/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyRWNHFLKHQFNKOX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.62
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107050933) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107050933
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1nnn(C)n1
InChIInChI=1S/C13H23N5/c1-3-14-12(9-11-7-5-4-6-8-11)10-13-15-17-18(2)16-13/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyRWNHFLKHQFNKOX-UHFFFAOYSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-(2-methyl-2H-tetrazol-5-yl)-1,2,3,6-tetrahydro-pyridine
CID 10241389
5-(2-Propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 19612485
2-Methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 23052452
5-(2-Ethyltetrazol-5-yl)-2-methyl-1,2,3,6-tetrahydropyridine
CID 53797202
2-Methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
CID 162314287
2-Methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
CID 162321707
5-(2-Propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine;hydrobromide
CID 162322218
2-(cyclopenten-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 106173854
2-(cyclohexen-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042350
N-[(2-methyltetrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 107042495
N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
CID 107050924
1-(2-methyltetrazol-5-yl)-N-propylpent-4-en-2-amine
CID 107050928

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107050933) is 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CCNC(CC1=CCCCC1)Cc1nnn(C)n1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is RWNHFLKHQFNKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-14-12(9-11-7-5-4-6-8-11)10-13-15-17-18(2)16-13/h7,12,14H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107050933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).