1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine

C17H33NO — CID 104988708

IUPAC1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CC(C)CC(C)C1
InChIInChI=1S/C17H33NO/c1-4-18-17(8-7-16-6-5-9-19-16)15-11-13(2)10-14(3)12-15/h13-18H,4-12H2,1-3H3
InChIKeyGXAXPQGBNBOJKH-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.00
Rot. Bonds6

About 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine

1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104988708) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID104988708
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CC(C)CC(C)C1
InChIInChI=1S/C17H33NO/c1-4-18-17(8-7-16-6-5-9-19-16)15-11-13(2)10-14(3)12-15/h13-18H,4-12H2,1-3H3
InChIKeyGXAXPQGBNBOJKH-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550
N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993666
N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 65164618
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115998319
N-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(oxolan-2-yl)propan-1-amine
CID 105017697
4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
CID 116726844
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65164820
2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 103168801
1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 65399101

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (CID 104988708) is 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is GXAXPQGBNBOJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-18-17(8-7-16-6-5-9-19-16)15-11-13(2)10-14(3)12-15/h13-18H,4-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104988708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).