1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine

C18H35NO — CID 116770194

IUPAC1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
SMILESCNC(C1CCC(C)C(C)C1)C1(OC)CCCCCC1
InChIInChI=1S/C18H35NO/c1-14-9-10-16(13-15(14)2)17(19-3)18(20-4)11-7-5-6-8-12-18/h14-17,19H,5-13H2,1-4H3
InChIKeyCNNCSJASTROZSK-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine

1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine (PubChem CID 116770194) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
PubChem CID116770194
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
SMILESCNC(C1CCC(C)C(C)C1)C1(OC)CCCCCC1
InChIInChI=1S/C18H35NO/c1-14-9-10-16(13-15(14)2)17(19-3)18(20-4)11-7-5-6-8-12-18/h14-17,19H,5-13H2,1-4H3
InChIKeyCNNCSJASTROZSK-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine (CID 116770194) is 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine is CNC(C1CCC(C)C(C)C1)C1(OC)CCCCCC1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
The InChIKey is CNNCSJASTROZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-14-9-10-16(13-15(14)2)17(19-3)18(20-4)11-7-5-6-8-12-18/h14-17,19H,5-13H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine is sourced from PubChem (CID 116770194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).