N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine

C16H31NO — CID 114192526

IUPACN-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CCC2CCCCC2)CCOCC1
InChIInChI=1S/C16H31NO/c1-2-17-14-16(10-12-18-13-11-16)9-8-15-6-4-3-5-7-15/h15,17H,2-14H2,1H3
InChIKeyCIRUNNMZWOEZFZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds6

About N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine

N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 114192526) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine
PubChem CID114192526
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CCC2CCCCC2)CCOCC1
InChIInChI=1S/C16H31NO/c1-2-17-14-16(10-12-18-13-11-16)9-8-15-6-4-3-5-7-15/h15,17H,2-14H2,1H3
InChIKeyCIRUNNMZWOEZFZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine
CID 166645012
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62862435
N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62391325
N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 65165659
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62718836
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63631988
N-[[1-(cyclopentylmethyl)cyclohexyl]methyl]ethanamine
CID 63507298
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine
CID 106589001
N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 65166242
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390224
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine (CID 114192526) is N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine is CCNCC1(CCC2CCCCC2)CCOCC1.
What is the InChIKey of N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is CIRUNNMZWOEZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-17-14-16(10-12-18-13-11-16)9-8-15-6-4-3-5-7-15/h15,17H,2-14H2,1H3.
What are the key properties of N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine?
N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 114192526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).