N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine

C16H31NO — CID 55036531

IUPACN-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine
SMILESCNCC1(OC2CCCC(C)C2)CCCCCC1
InChIInChI=1S/C16H31NO/c1-14-8-7-9-15(12-14)18-16(13-17-2)10-5-3-4-6-11-16/h14-15,17H,3-13H2,1-2H3
InChIKeyMAUHWFSIUGYDNH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds4

About N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine

N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine (PubChem CID 55036531) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine
PubChem CID55036531
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine
SMILESCNCC1(OC2CCCC(C)C2)CCCCCC1
InChIInChI=1S/C16H31NO/c1-14-8-7-9-15(12-14)18-16(13-17-2)10-5-3-4-6-11-16/h14-15,17H,3-13H2,1-2H3
InChIKeyMAUHWFSIUGYDNH-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine (CID 55036531) is N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine is CNCC1(OC2CCCC(C)C2)CCCCCC1.
What is the InChIKey of N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine?
The InChIKey is MAUHWFSIUGYDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14-8-7-9-15(12-14)18-16(13-17-2)10-5-3-4-6-11-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine?
N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylcyclohexyl)oxycycloheptyl]methanamine is sourced from PubChem (CID 55036531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).