N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine

C18H30N2 — CID 107172122

IUPACN-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine
SMILESCc1cc(C)c(C(C)N(C)C2CCCNCC2)c(C)c1
InChIInChI=1S/C18H30N2/c1-13-11-14(2)18(15(3)12-13)16(4)20(5)17-7-6-9-19-10-8-17/h11-12,16-17,19H,6-10H2,1-5H3
InChIKeyKXVOHENOOKNEQJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.75
Rot. Bonds3

About N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine

N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine (PubChem CID 107172122) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine
PubChem CID107172122
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine
SMILESCc1cc(C)c(C(C)N(C)C2CCCNCC2)c(C)c1
InChIInChI=1S/C18H30N2/c1-13-11-14(2)18(15(3)12-13)16(4)20(5)17-7-6-9-19-10-8-17/h11-12,16-17,19H,6-10H2,1-5H3
InChIKeyKXVOHENOOKNEQJ-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016
N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 79697768
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162
N-[1-(3-bromophenyl)ethyl]-N-methylazepan-4-amine
CID 107172110
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172117
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methylazepan-4-amine
CID 107172067
N-methyl-N-(2-methylphenyl)azepan-4-amine
CID 112690295
N-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 55085534
N-methyl-N-(2-methyl-4-nitrophenyl)azepan-4-amine
CID 107173916
4-[methyl(2-methylpropylsulfamoyl)amino]azepane
CID 107172951
N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107173995
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine?
The IUPAC name of N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine (CID 107172122) is N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine.
What is the SMILES notation for N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine?
The canonical SMILES for N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine is Cc1cc(C)c(C(C)N(C)C2CCCNCC2)c(C)c1.
What is the InChIKey of N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine?
The InChIKey is KXVOHENOOKNEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13-11-14(2)18(15(3)12-13)16(4)20(5)17-7-6-9-19-10-8-17/h11-12,16-17,19H,6-10H2,1-5H3.
What are the key properties of N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine?
N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine is sourced from PubChem (CID 107172122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).