1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

C18H35NO — CID 116770863

IUPAC1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCCOC1(C(NC)C2CCC(C)CC2)CCCCCC1
InChIInChI=1S/C18H35NO/c1-4-20-18(13-7-5-6-8-14-18)17(19-3)16-11-9-15(2)10-12-16/h15-17,19H,4-14H2,1-3H3
InChIKeyQDBILKGOQFWBMO-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (PubChem CID 116770863) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
PubChem CID116770863
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCCOC1(C(NC)C2CCC(C)CC2)CCCCCC1
InChIInChI=1S/C18H35NO/c1-4-20-18(13-7-5-6-8-14-18)17(19-3)16-11-9-15(2)10-12-16/h15-17,19H,4-14H2,1-3H3
InChIKeyQDBILKGOQFWBMO-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 116767209
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
[cyclopropyl-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276206
[cyclopropyl-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275601
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765744
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
1-(4-ethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770174
[(3,4-dimethylcyclohexyl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 105278479
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764131
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
[(1-methoxycycloheptyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105278264

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (CID 116770863) is 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is CCOC1(C(NC)C2CCC(C)CC2)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The InChIKey is QDBILKGOQFWBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-20-18(13-7-5-6-8-14-18)17(19-3)16-11-9-15(2)10-12-16/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 116770863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).