1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine

C15H20ClN5 — CID 53297703

IUPAC1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine
SMILESCCNC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C15H20ClN5/c1-2-17-15(9-4-3-5-10-15)14-18-19-20-21(14)13-8-6-7-12(16)11-13/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyKBABTQCUEMHRRX-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine

1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine (PubChem CID 53297703) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine
PubChem CID53297703
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine
SMILESCCNC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C15H20ClN5/c1-2-17-15(9-4-3-5-10-15)14-18-19-20-21(14)13-8-6-7-12(16)11-13/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyKBABTQCUEMHRRX-UHFFFAOYSA-N
XLogP3.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-N,N-dimethylcyclohexanamine
CID 581177
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-4-(3-chloro-phenyl)-piperazine
CID 646653
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-propyl]-4-(5-chloro-2-methyl-phenyl)-piperazine
CID 655300
N-(4-chlorophenyl)-N-[1-(1-cyclohexyl-1H-tetraazol-5-yl)cyclohexyl]amine
CID 1034633
[(3-Chloro-phenyl)-(1-cyclohexyl-1H-tetrazol-5-yl)-methyl]-o-tolyl-amine
CID 3089937
N-[(3-chlorophenyl)methyl]-1-phenyltetrazol-5-amine
CID 2499898
1-[[1-(4-Chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine
CID 3184561
1-(5-chloro-2-methylphenyl)-5-[1-(1-pyrrolidinyl)cyclopentyl]-1H-tetraazole
CID 30617981
1-(5-chloro-2-methylphenyl)-5-[1-(1-pyrrolidinyl)cyclohexyl]-1H-tetraazole
CID 40470360
N-{2-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]propan-2-yl}-2,4-dimethylaniline
CID 45600037

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine (CID 53297703) is 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine is CCNC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine?
The InChIKey is KBABTQCUEMHRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-2-17-15(9-4-3-5-10-15)14-18-19-20-21(14)13-8-6-7-12(16)11-13/h6-8,11,17H,2-5,9-10H2,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine?
1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)tetrazol-5-yl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 53297703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).