1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine

C15H27NO — CID 116764086

IUPAC1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCC(NCC)C1(OCC)CCCCC1
InChIInChI=1S/C15H27NO/c1-4-7-11-14(16-5-2)15(17-6-3)12-9-8-10-13-15/h1,14,16H,5-13H2,2-3H3
InChIKeyRAZZLNWSTUTKJU-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.12
Rot. Bonds7

About 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine

1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine (PubChem CID 116764086) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine
PubChem CID116764086
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCC(NCC)C1(OCC)CCCCC1
InChIInChI=1S/C15H27NO/c1-4-7-11-14(16-5-2)15(17-6-3)12-9-8-10-13-15/h1,14,16H,5-13H2,2-3H3
InChIKeyRAZZLNWSTUTKJU-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethoxycycloheptyl)-N-ethylhex-4-yn-1-amine
CID 116770947
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(1-ethoxycycloheptyl)hex-5-ynylhydrazine
CID 105278459
1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116764007
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylhexan-1-amine
CID 116764072
N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine
CID 79057451
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128
1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 116764093
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine (CID 116764086) is 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine is C#CCCC(NCC)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine?
The InChIKey is RAZZLNWSTUTKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-7-11-14(16-5-2)15(17-6-3)12-9-8-10-13-15/h1,14,16H,5-13H2,2-3H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine?
1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine is sourced from PubChem (CID 116764086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).