2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine

C16H31NO — CID 104749178

IUPAC2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine
SMILESCNC(COC1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-17-16(14-9-5-4-6-10-14)13-18-15-11-7-2-3-8-12-15/h14-17H,2-13H2,1H3
InChIKeyHLDVOVBWJSRSDT-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds5

About 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine

2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine (PubChem CID 104749178) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine
PubChem CID104749178
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine
SMILESCNC(COC1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-17-16(14-9-5-4-6-10-14)13-18-15-11-7-2-3-8-12-15/h14-17H,2-13H2,1H3
InChIKeyHLDVOVBWJSRSDT-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine
CID 102721862
1-cyclohexyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylethanamine
CID 102721932
1-cyclohexyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214971
1-cyclohexyl-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 104748278
N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 104749593
1-cyclohexyl-2-(2,2-difluoroethoxy)-N-methylethanamine
CID 104749695
1-cyclohexyl-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine
CID 104749714
1-(4,4-difluorocyclohexyl)-2-ethoxy-N-methylethanamine
CID 105165193
1-(4,4-difluorocyclohexyl)-N-methyl-2-propoxyethanamine
CID 105165458
1-(4,4-difluorocyclohexyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105168103
1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105168239
N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168281

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine?
The IUPAC name of 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine (CID 104749178) is 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine?
The canonical SMILES for 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine is CNC(COC1CCCCCC1)C1CCCCC1.
What is the InChIKey of 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine?
The InChIKey is HLDVOVBWJSRSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-17-16(14-9-5-4-6-10-14)13-18-15-11-7-2-3-8-12-15/h14-17H,2-13H2,1H3.
What are the key properties of 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine?
2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 104749178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).