1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

C17H33NO — CID 104991042

IUPAC1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCCC1CCC(C(CCC2CCCCO2)NC)CC1
InChIInChI=1S/C17H33NO/c1-3-14-7-9-15(10-8-14)17(18-2)12-11-16-6-4-5-13-19-16/h14-18H,3-13H2,1-2H3
InChIKeyXBTFGZPPQRYQFZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 104991042) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
PubChem CID104991042
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCCC1CCC(C(CCC2CCCCO2)NC)CC1
InChIInChI=1S/C17H33NO/c1-3-14-7-9-15(10-8-14)17(18-2)12-11-16-6-4-5-13-19-16/h14-18H,3-13H2,1-2H3
InChIKeyXBTFGZPPQRYQFZ-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

1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine
CID 104990860
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164623
N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550
[1-cycloheptyl-3-(oxolan-2-yl)propyl]hydrazine
CID 105231964
N-methyl-1-(2-methyloxolan-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993513
N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine
CID 65413363
1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346285
1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 65392907
N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993527
1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
CID 65393747

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (CID 104991042) is 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is CCC1CCC(C(CCC2CCCCO2)NC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is XBTFGZPPQRYQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-14-7-9-15(10-8-14)17(18-2)12-11-16-6-4-5-13-19-16/h14-18H,3-13H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine 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 1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 104991042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).