1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine

C19H29NO — CID 105154403

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(C1CCC(C)C(C)C1)C1OCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-13-8-9-16(12-14(13)2)18(20-3)19-17-7-5-4-6-15(17)10-11-21-19/h4-7,13-14,16,18-20H,8-12H2,1-3H3
InChIKeyHOPBOLGBCMAUEE-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.96
Rot. Bonds3

About 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine

1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 105154403) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID105154403
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(C1CCC(C)C(C)C1)C1OCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-13-8-9-16(12-14(13)2)18(20-3)19-17-7-5-4-6-15(17)10-11-21-19/h4-7,13-14,16,18-20H,8-12H2,1-3H3
InChIKeyHOPBOLGBCMAUEE-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine (CID 105154403) is 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine is CNC(C1CCC(C)C(C)C1)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is HOPBOLGBCMAUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-8-9-16(12-14(13)2)18(20-3)19-17-7-5-4-6-15(17)10-11-21-19/h4-7,13-14,16,18-20H,8-12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 105154403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).