1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine

C20H27N — CID 81021877

IUPAC1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1cccc2ccccc12
InChIInChI=1S/C20H27N/c1-20(2)12-11-16(14-21-3)19(13-20)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16,19,21H,11-14H2,1-3H3
InChIKeyFUJVFCNCUFEDGI-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.97
Rot. Bonds3

About 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine

1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine (PubChem CID 81021877) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
PubChem CID81021877
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1cccc2ccccc12
InChIInChI=1S/C20H27N/c1-20(2)12-11-16(14-21-3)19(13-20)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16,19,21H,11-14H2,1-3H3
InChIKeyFUJVFCNCUFEDGI-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine (CID 81021877) is 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine is CNCC1CCC(C)(C)CC1c1cccc2ccccc12.
What is the InChIKey of 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine?
The InChIKey is FUJVFCNCUFEDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-20(2)12-11-16(14-21-3)19(13-20)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16,19,21H,11-14H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine?
1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 81021877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).