N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine

C15H29NO2 — CID 62382213

IUPACN-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
SMILESCNCC1(OCC2CCOCC2)CCC(C)CC1
InChIInChI=1S/C15H29NO2/c1-13-3-7-15(8-4-13,12-16-2)18-11-14-5-9-17-10-6-14/h13-14,16H,3-12H2,1-2H3
InChIKeyNFDJQNJILSLFFF-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.60
Rot. Bonds5

About N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine

N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine (PubChem CID 62382213) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
PubChem CID62382213
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
SMILESCNCC1(OCC2CCOCC2)CCC(C)CC1
InChIInChI=1S/C15H29NO2/c1-13-3-7-15(8-4-13,12-16-2)18-11-14-5-9-17-10-6-14/h13-14,16H,3-12H2,1-2H3
InChIKeyNFDJQNJILSLFFF-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine (CID 62382213) is N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine is CNCC1(OCC2CCOCC2)CCC(C)CC1.
What is the InChIKey of N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine?
The InChIKey is NFDJQNJILSLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13-3-7-15(8-4-13,12-16-2)18-11-14-5-9-17-10-6-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine?
N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine has a molecular weight of 255.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62382213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).