1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

C18H35NO2 — CID 116762435

IUPAC1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1(OCC)CCCC1
InChIInChI=1S/C18H35NO2/c1-3-14-19-17(11-7-9-16-10-8-15-20-16)18(21-4-2)12-5-6-13-18/h16-17,19H,3-15H2,1-2H3
InChIKeyUVCHJLWYFXMYDH-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.05
Rot. Bonds10

About 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 116762435) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID116762435
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1(OCC)CCCC1
InChIInChI=1S/C18H35NO2/c1-3-14-19-17(11-7-9-16-10-8-15-20-16)18(21-4-2)12-5-6-13-18/h16-17,19H,3-15H2,1-2H3
InChIKeyUVCHJLWYFXMYDH-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 116764093
[1-(1-ethoxycycloheptyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105278474
1-(1-ethoxycyclopentyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 116761965
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 116764230
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine
CID 116726030
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
CID 65162085
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 116762435) is 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)C1(OCC)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is UVCHJLWYFXMYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-14-19-17(11-7-9-16-10-8-15-20-16)18(21-4-2)12-5-6-13-18/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 297.48 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 116762435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).