1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol

C14H30N2O2 — CID 113441633

IUPAC1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCCC1CCCCCN1CC(O)CNCCOC
InChIInChI=1S/C14H30N2O2/c1-3-13-7-5-4-6-9-16(13)12-14(17)11-15-8-10-18-2/h13-15,17H,3-12H2,1-2H3
InChIKeyCUNBPNISDUYCRV-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.24
Rot. Bonds8

About 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol

1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 113441633) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID113441633
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCCC1CCCCCN1CC(O)CNCCOC
InChIInChI=1S/C14H30N2O2/c1-3-13-7-5-4-6-9-16(13)12-14(17)11-15-8-10-18-2/h13-15,17H,3-12H2,1-2H3
InChIKeyCUNBPNISDUYCRV-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol
CID 43266432
1-(2-cyclopentylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475177
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol
CID 104691333
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
N-[[1-(2-ethylbutyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 82924579
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475228
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine
CID 62575422
2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62581642
3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104692283

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol (CID 113441633) is 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol is CCC1CCCCCN1CC(O)CNCCOC.
What is the InChIKey of 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is CUNBPNISDUYCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-3-13-7-5-4-6-9-16(13)12-14(17)11-15-8-10-18-2/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 113441633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).