N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine

C17H33NO — CID 63474493

IUPACN-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC2CCCCC2)CCCC(C)C1
InChIInChI=1S/C17H33NO/c1-3-18-14-17(11-7-8-15(2)12-17)19-13-16-9-5-4-6-10-16/h15-16,18H,3-14H2,1-2H3
InChIKeyOZHPFOKNRAWWCW-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds6

About N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine

N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine (PubChem CID 63474493) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine
PubChem CID63474493
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC2CCCCC2)CCCC(C)C1
InChIInChI=1S/C17H33NO/c1-3-18-14-17(11-7-8-15(2)12-17)19-13-16-9-5-4-6-10-16/h15-16,18H,3-14H2,1-2H3
InChIKeyOZHPFOKNRAWWCW-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane
CID 165489879
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
N-[[1-[(4-bromophenyl)methoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 82831969
N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
CID 63474851
1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine
CID 114248811
1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
CID 66322900
N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine
CID 63473773
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
[1-(cyclobutylmethoxy)-3-methylcyclopentyl]methanamine
CID 65458688
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine (CID 63474493) is N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine is CCNCC1(OCC2CCCCC2)CCCC(C)C1.
What is the InChIKey of N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine?
The InChIKey is OZHPFOKNRAWWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-18-14-17(11-7-8-15(2)12-17)19-13-16-9-5-4-6-10-16/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine?
N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 63474493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).