1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine

C19H37NO — CID 116769246

IUPAC1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(C1CC(C)CC(C)C1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C19H37NO/c1-14-11-15(2)13-16(12-14)17(20-5)19(21-6)9-7-18(3,4)8-10-19/h14-17,20H,7-13H2,1-6H3
InChIKeyUIHVBBYTFDVGHZ-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.63
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine

1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 116769246) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID116769246
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(C1CC(C)CC(C)C1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C19H37NO/c1-14-11-15(2)13-16(12-14)17(20-5)19(21-6)9-7-18(3,4)8-10-19/h14-17,20H,7-13H2,1-6H3
InChIKeyUIHVBBYTFDVGHZ-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine (CID 116769246) is 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine is CNC(C1CC(C)CC(C)C1)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is UIHVBBYTFDVGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-14-11-15(2)13-16(12-14)17(20-5)19(21-6)9-7-18(3,4)8-10-19/h14-17,20H,7-13H2,1-6H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine?
1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 295.51 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116769246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).