2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine

C13H28N2O — CID 104689096

IUPAC2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine
SMILESCCOC(CN)CN1CCCCCC1CC
InChIInChI=1S/C13H28N2O/c1-3-12-8-6-5-7-9-15(12)11-13(10-14)16-4-2/h12-13H,3-11,14H2,1-2H3
InChIKeyYXCXWNMJJNKVNP-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds6

About 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine

2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine (PubChem CID 104689096) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine
PubChem CID104689096
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine
SMILESCCOC(CN)CN1CCCCCC1CC
InChIInChI=1S/C13H28N2O/c1-3-12-8-6-5-7-9-15(12)11-13(10-14)16-4-2/h12-13H,3-11,14H2,1-2H3
InChIKeyYXCXWNMJJNKVNP-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-ethoxypropyl)piperidine-2-carboxamide
CID 63071979
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-2-carboxylate
CID 115538704
2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366456
2-methoxy-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 106114983
2-ethoxy-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83052818
1-cyclohexyl-2-(2-ethylpiperidin-1-yl)ethanamine
CID 113448010
3-(2-ethylazepan-1-yl)-2-methylpropanal
CID 112545832
methyl 2-bromo-3-(2-ethylpiperidin-1-yl)propanoate
CID 81100236
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690
[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690353
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
3-(2-ethylazepan-1-yl)-2-methylpropanimidamide
CID 104690087

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine (CID 104689096) is 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine is CCOC(CN)CN1CCCCCC1CC.
What is the InChIKey of 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine?
The InChIKey is YXCXWNMJJNKVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-12-8-6-5-7-9-15(12)11-13(10-14)16-4-2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine?
2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine is sourced from PubChem (CID 104689096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).