1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine

C18H35NO2 — CID 116764093

IUPAC1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)C1(OCC)CCCCC1
InChIInChI=1S/C18H35NO2/c1-3-19-17(12-8-10-16-11-9-15-20-16)18(21-4-2)13-6-5-7-14-18/h16-17,19H,3-15H2,1-2H3
InChIKeyMCPYAWCAJBZRLV-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.05
Rot. Bonds9

About 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine

1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 116764093) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID116764093
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)C1(OCC)CCCCC1
InChIInChI=1S/C18H35NO2/c1-3-19-17(12-8-10-16-11-9-15-20-16)18(21-4-2)13-6-5-7-14-18/h16-17,19H,3-15H2,1-2H3
InChIKeyMCPYAWCAJBZRLV-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 116762435
[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-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
CID 79061604
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 79066074
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
CID 104993519
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine
CID 116764086
1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine (CID 116764093) is 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine is CCNC(CCCC1CCCO1)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is MCPYAWCAJBZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-19-17(12-8-10-16-11-9-15-20-16)18(21-4-2)13-6-5-7-14-18/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 297.48 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 116764093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).