3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine

C16H31NO — CID 114242028

IUPAC3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine
SMILESCNC(CCC1CCCCC1)C1CCOCC1C
InChIInChI=1S/C16H31NO/c1-13-12-18-11-10-15(13)16(17-2)9-8-14-6-4-3-5-7-14/h13-17H,3-12H2,1-2H3
InChIKeyIRFVKWASBQJUCG-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds5

About 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine

3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine (PubChem CID 114242028) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine
PubChem CID114242028
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine
SMILESCNC(CCC1CCCCC1)C1CCOCC1C
InChIInChI=1S/C16H31NO/c1-13-12-18-11-10-15(13)16(17-2)9-8-14-6-4-3-5-7-14/h13-17H,3-12H2,1-2H3
InChIKeyIRFVKWASBQJUCG-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 114192236
3-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 104989179
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
2-(3-methyloxan-4-yl)propan-1-amine
CID 83905272
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine
CID 114241922
1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
CID 114241913
2-cyclohexyl-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188288
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
N-methyl-1-(2-methyloxolan-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993513
N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
CID 65332134
N,4,4-trimethyl-1-(2-methylcyclopentyl)pentan-1-amine
CID 107188477

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine (CID 114242028) is 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine is CNC(CCC1CCCCC1)C1CCOCC1C.
What is the InChIKey of 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine?
The InChIKey is IRFVKWASBQJUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13-12-18-11-10-15(13)16(17-2)9-8-14-6-4-3-5-7-14/h13-17H,3-12H2,1-2H3.
What are the key properties of 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine?
3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-methyl-1-(3-methyloxan-4-yl)propan-1-amine is sourced from PubChem (CID 114242028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).