N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine

C18H28N2 — CID 107172050

IUPACN-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine
SMILESCC1CCC(N(C)C2CCCNCC2)c2ccccc21
InChIInChI=1S/C18H28N2/c1-14-9-10-18(17-8-4-3-7-16(14)17)20(2)15-6-5-12-19-13-11-15/h3-4,7-8,14-15,18-19H,5-6,9-13H2,1-2H3
InChIKeyGNOOZWNVJLWWKU-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.70
Rot. Bonds2

About N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine

N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine (PubChem CID 107172050) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine
PubChem CID107172050
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine
SMILESCC1CCC(N(C)C2CCCNCC2)c2ccccc21
InChIInChI=1S/C18H28N2/c1-14-9-10-18(17-8-4-3-7-16(14)17)20(2)15-6-5-12-19-13-11-15/h3-4,7-8,14-15,18-19H,5-6,9-13H2,1-2H3
InChIKeyGNOOZWNVJLWWKU-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine
CID 107171928
N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
CID 55249309
N-methyl-N-(3-methylcyclobutyl)azepan-4-amine
CID 107172184
N-methyl-N-(2-methylphenyl)azepan-4-amine
CID 112690295
N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine
CID 87878169
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603015
N-ethyl-N-phenylazepan-4-amine
CID 112690283
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
N-(furan-2-ylmethyl)-N-methylazepan-4-amine
CID 63902730

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine?
The IUPAC name of N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine (CID 107172050) is N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine is CC1CCC(N(C)C2CCCNCC2)c2ccccc21.
What is the InChIKey of N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine?
The InChIKey is GNOOZWNVJLWWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-9-10-18(17-8-4-3-7-16(14)17)20(2)15-6-5-12-19-13-11-15/h3-4,7-8,14-15,18-19H,5-6,9-13H2,1-2H3.
What are the key properties of N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine?
N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine is sourced from PubChem (CID 107172050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).