1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine

C19H29N5 — CID 30314136

IUPAC1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nnnn2-c2ccc(C)cc2C)CCC(C)CC1
InChIInChI=1S/C19H29N5/c1-5-12-20-19(10-8-14(2)9-11-19)18-21-22-23-24(18)17-7-6-15(3)13-16(17)4/h6-7,13-14,20H,5,8-12H2,1-4H3
InChIKeyAOIWLLZMPQHBKW-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.68
Rot. Bonds5

About 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine

1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 30314136) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID30314136
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nnnn2-c2ccc(C)cc2C)CCC(C)CC1
InChIInChI=1S/C19H29N5/c1-5-12-20-19(10-8-14(2)9-11-19)18-21-22-23-24(18)17-7-6-15(3)13-16(17)4/h6-7,13-14,20H,5,8-12H2,1-4H3
InChIKeyAOIWLLZMPQHBKW-UHFFFAOYSA-N
XLogP3.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311681
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
CID 30314444
2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 50812217
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312342
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
CID 30309876
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310326
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline
CID 30312545
N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30314584
methyl 2-[5-[1-[(2-ethoxy-2-oxoethyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312689
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
CID 30313030

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine (CID 30314136) is 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine is CCCNC1(c2nnnn2-c2ccc(C)cc2C)CCC(C)CC1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is AOIWLLZMPQHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-5-12-20-19(10-8-14(2)9-11-19)18-21-22-23-24(18)17-7-6-15(3)13-16(17)4/h6-7,13-14,20H,5,8-12H2,1-4H3.
What are the key properties of 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine?
1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 327.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 30314136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).