1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine

C20H27N — CID 63862559

IUPAC1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCCC1CCCCC1C(NC)c1cccc2ccccc12
InChIInChI=1S/C20H27N/c1-3-15-9-4-7-13-18(15)20(21-2)19-14-8-11-16-10-5-6-12-17(16)19/h5-6,8,10-12,14-15,18,20-21H,3-4,7,9,13H2,1-2H3
InChIKeyXLLVJFUHLOSUHW-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.32
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine

1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine (PubChem CID 63862559) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
PubChem CID63862559
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCCC1CCCCC1C(NC)c1cccc2ccccc12
InChIInChI=1S/C20H27N/c1-3-15-9-4-7-13-18(15)20(21-2)19-14-8-11-16-10-5-6-12-17(16)19/h5-6,8,10-12,14-15,18,20-21H,3-4,7,9,13H2,1-2H3
InChIKeyXLLVJFUHLOSUHW-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethoxyphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115533850
1-(2-ethylcyclohexyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103127257
N-methyl-1-naphthalen-1-yl-1-piperidin-2-ylmethanamine
CID 116951227
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
1-(2,4-dimethylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862504
1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862601
[(2,3-dimethoxyphenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 105309720
[(2-ethylcyclohexyl)-isoquinolin-1-ylmethyl]hydrazine
CID 105220614
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863652
1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 64738647
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 105151150
1-(2,6-dimethyl-4-pyridinyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 107503579

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine (CID 63862559) is 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine is CCC1CCCCC1C(NC)c1cccc2ccccc12.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine?
The InChIKey is XLLVJFUHLOSUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-15-9-4-7-13-18(15)20(21-2)19-14-8-11-16-10-5-6-12-17(16)19/h5-6,8,10-12,14-15,18,20-21H,3-4,7,9,13H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine?
1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 63862559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).