N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine

C18H27N5 — CID 30311709

IUPACN,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
SMILESCCN(CC)C1(c2nnnn2-c2ccccc2C)CCCCC1
InChIInChI=1S/C18H27N5/c1-4-22(5-2)18(13-9-6-10-14-18)17-19-20-21-23(17)16-12-8-7-11-15(16)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyQAYYWMFRKXPGOX-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.47
Rot. Bonds5

About N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine

N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine (PubChem CID 30311709) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
PubChem CID30311709
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
SMILESCCN(CC)C1(c2nnnn2-c2ccccc2C)CCCCC1
InChIInChI=1S/C18H27N5/c1-4-22(5-2)18(13-9-6-10-14-18)17-19-20-21-23(17)16-12-8-7-11-15(16)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyQAYYWMFRKXPGOX-UHFFFAOYSA-N
XLogP3.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
CID 30311128
N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311781
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
CID 5024736
1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
CID 3508864
N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310310
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310249
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30314222
methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30313762
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
methyl 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30311605
N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine
CID 5217553

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine (CID 30311709) is N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine is CCN(CC)C1(c2nnnn2-c2ccccc2C)CCCCC1.
What is the InChIKey of N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine?
The InChIKey is QAYYWMFRKXPGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-4-22(5-2)18(13-9-6-10-14-18)17-19-20-21-23(17)16-12-8-7-11-15(16)3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine?
N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine has a molecular weight of 313.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 30311709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).