1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine

C19H37NO — CID 104993550

IUPAC1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCCCC1CCC(C(CCC2CCCO2)NCC)CC1
InChIInChI=1S/C19H37NO/c1-3-5-7-16-9-11-17(12-10-16)19(20-4-2)14-13-18-8-6-15-21-18/h16-20H,3-15H2,1-2H3
InChIKeyFPSXRJZZGGGWLG-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.92
Rot. Bonds9

About 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine

1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993550) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993550
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCCCC1CCC(C(CCC2CCCO2)NCC)CC1
InChIInChI=1S/C19H37NO/c1-3-5-7-16-9-11-17(12-10-16)19(20-4-2)14-13-18-8-6-15-21-18/h16-20H,3-15H2,1-2H3
InChIKeyFPSXRJZZGGGWLG-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708
1-(4-butylcyclohexyl)-N-ethylpropan-1-amine
CID 114979356
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 104991042
N-ethyl-1-(4-propylcyclohexyl)octan-1-amine
CID 65423776
2-butyloxolane;pentylcyclopentane
CID 143579314
1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820297
N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993666
3-cycloheptyl-1-cyclopropyl-N-ethylpropan-1-amine
CID 82924608
1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine
CID 115846127
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 65164618
1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 65399101

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine (CID 104993550) is 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is CCCCC1CCC(C(CCC2CCCO2)NCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is FPSXRJZZGGGWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-7-16-9-11-17(12-10-16)19(20-4-2)14-13-18-8-6-15-21-18/h16-20H,3-15H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine?
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).