3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine

C13H28N2O — CID 79643445

IUPAC3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
SMILESCCNC1CCC(N(CC)CCOCC)C1
InChIInChI=1S/C13H28N2O/c1-4-14-12-7-8-13(11-12)15(5-2)9-10-16-6-3/h12-14H,4-11H2,1-3H3
InChIKeyDHKNQJSXMFRCNN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds8

About 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine

3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine (PubChem CID 79643445) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
PubChem CID79643445
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
SMILESCCNC1CCC(N(CC)CCOCC)C1
InChIInChI=1S/C13H28N2O/c1-4-14-12-7-8-13(11-12)15(5-2)9-10-16-6-3/h12-14H,4-11H2,1-3H3
InChIKeyDHKNQJSXMFRCNN-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-diethyl-1-N-(2-methoxyethyl)cyclohexane-1,3-diamine
CID 79618929
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methoxyethyl)cyclopentane-1,3-diamine
CID 79643074
3-N-(2-ethoxyethyl)-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 81059535
1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
CID 107869628
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
3-N-ethyl-1-N-methyl-3-N-propylcyclopentane-1,3-diamine
CID 79644235
N'-cyclopropyl-N-(2-ethoxyethyl)-N'-ethylethane-1,2-diamine
CID 62559981
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351
4-[2-ethoxyethyl(ethyl)amino]cyclohexan-1-one
CID 114762224
2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
CID 63697377
1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
CID 79643078

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine (CID 79643445) is 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine is CCNC1CCC(N(CC)CCOCC)C1.
What is the InChIKey of 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine?
The InChIKey is DHKNQJSXMFRCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-14-12-7-8-13(11-12)15(5-2)9-10-16-6-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine?
3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine is sourced from PubChem (CID 79643445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).