N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine

C19H29N5 — CID 30314222

IUPACN,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
SMILESCCN(CC)C1(c2nnnn2-c2ccc(C)cc2)CCC(C)CC1
InChIInChI=1S/C19H29N5/c1-5-23(6-2)19(13-11-16(4)12-14-19)18-20-21-22-24(18)17-9-7-15(3)8-10-17/h7-10,16H,5-6,11-14H2,1-4H3
InChIKeyQQWISTHDSFMGCK-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.72
Rot. Bonds5

About N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine

N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine (PubChem CID 30314222) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
PubChem CID30314222
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
SMILESCCN(CC)C1(c2nnnn2-c2ccc(C)cc2)CCC(C)CC1
InChIInChI=1S/C19H29N5/c1-5-23(6-2)19(13-11-16(4)12-14-19)18-20-21-22-24(18)17-9-7-15(3)8-10-17/h7-10,16H,5-6,11-14H2,1-4H3
InChIKeyQQWISTHDSFMGCK-UHFFFAOYSA-N
XLogP3.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30313406
ethyl 4-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313542
ethyl 4-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312316
N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311709
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310
N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide
CID 30313521
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575
N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310828
N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311781
ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312929
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312342
ethyl 3-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313546

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine (CID 30314222) is N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine is CCN(CC)C1(c2nnnn2-c2ccc(C)cc2)CCC(C)CC1.
What is the InChIKey of N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine?
The InChIKey is QQWISTHDSFMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-5-23(6-2)19(13-11-16(4)12-14-19)18-20-21-22-24(18)17-9-7-15(3)8-10-17/h7-10,16H,5-6,11-14H2,1-4H3.
What are the key properties of N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine?
N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine has a molecular weight of 327.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 30314222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).