3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine

C15H31NO — CID 105156239

IUPAC3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
SMILESCCNC(CCOCC)C1CCCC(CC)C1
InChIInChI=1S/C15H31NO/c1-4-13-8-7-9-14(12-13)15(16-5-2)10-11-17-6-3/h13-16H,4-12H2,1-3H3
InChIKeyLTEGQPXDYOOBSI-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds8

About 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine

3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine (PubChem CID 105156239) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
PubChem CID105156239
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
SMILESCCNC(CCOCC)C1CCCC(CC)C1
InChIInChI=1S/C15H31NO/c1-4-13-8-7-9-14(12-13)15(16-5-2)10-11-17-6-3/h13-16H,4-12H2,1-3H3
InChIKeyLTEGQPXDYOOBSI-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine
CID 113374324
N-ethyl-1-(3-ethylcyclohexyl)but-3-yn-1-amine
CID 65412723
N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine
CID 107009239
3-ethoxy-N-ethyl-1-(oxan-3-yl)propan-1-amine
CID 107137018
N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135592
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
N-ethyl-1-(3-ethylcyclopentyl)hexan-1-amine
CID 65409647
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-ethylphenyl)ethanamine
CID 65414953
(1-cyclohexyl-3-ethoxypropyl)hydrazine
CID 105282116
1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine (CID 105156239) is 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine is CCNC(CCOCC)C1CCCC(CC)C1.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine?
The InChIKey is LTEGQPXDYOOBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-13-8-7-9-14(12-13)15(16-5-2)10-11-17-6-3/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine?
3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine is sourced from PubChem (CID 105156239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).