1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine

C18H27N5 — CID 30311681

IUPAC1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nnnn2-c2cc(C)cc(C)c2)CCCCC1
InChIInChI=1S/C18H27N5/c1-4-10-19-18(8-6-5-7-9-18)17-20-21-22-23(17)16-12-14(2)11-15(3)13-16/h11-13,19H,4-10H2,1-3H3
InChIKeyPFMQOIKIGLDITH-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.44
Rot. Bonds5

About 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine

1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine (PubChem CID 30311681) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
PubChem CID30311681
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nnnn2-c2cc(C)cc(C)c2)CCCCC1
InChIInChI=1S/C18H27N5/c1-4-10-19-18(8-6-5-7-9-18)17-20-21-22-23(17)16-12-14(2)11-15(3)13-16/h11-13,19H,4-10H2,1-3H3
InChIKeyPFMQOIKIGLDITH-UHFFFAOYSA-N
XLogP3.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine (CID 30311681) is 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine is CCCNC1(c2nnnn2-c2cc(C)cc(C)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine?
The InChIKey is PFMQOIKIGLDITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-4-10-19-18(8-6-5-7-9-18)17-20-21-22-23(17)16-12-14(2)11-15(3)13-16/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine?
1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine has a molecular weight of 313.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 30311681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).