2-(4-aminoazepan-1-yl)ethanol;ethane

C10H24N2O — CID 143651485

IUPAC2-(4-aminoazepan-1-yl)ethanol;ethane
SMILESCC.NC1CCCN(CCO)CC1
InChIInChI=1S/C8H18N2O.C2H6/c9-8-2-1-4-10(5-3-8)6-7-11;1-2/h8,11H,1-7,9H2;1-2H3
InChIKeyBLCLKZXWVZHMFM-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.82
Rot. Bonds2

About 2-(4-aminoazepan-1-yl)ethanol;ethane

2-(4-aminoazepan-1-yl)ethanol;ethane (PubChem CID 143651485) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-(4-aminoazepan-1-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(4-aminoazepan-1-yl)ethanol;ethane
PubChem CID143651485
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-(4-aminoazepan-1-yl)ethanol;ethane
SMILESCC.NC1CCCN(CCO)CC1
InChIInChI=1S/C8H18N2O.C2H6/c9-8-2-1-4-10(5-3-8)6-7-11;1-2/h8,11H,1-7,9H2;1-2H3
InChIKeyBLCLKZXWVZHMFM-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-aminoazepan-1-yl)ethanol;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoazepan-1-yl)ethanol;ethane?
The IUPAC name of 2-(4-aminoazepan-1-yl)ethanol;ethane (CID 143651485) is 2-(4-aminoazepan-1-yl)ethanol;ethane.
What is the SMILES notation for 2-(4-aminoazepan-1-yl)ethanol;ethane?
The canonical SMILES for 2-(4-aminoazepan-1-yl)ethanol;ethane is CC.NC1CCCN(CCO)CC1.
What is the InChIKey of 2-(4-aminoazepan-1-yl)ethanol;ethane?
The InChIKey is BLCLKZXWVZHMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C2H6/c9-8-2-1-4-10(5-3-8)6-7-11;1-2/h8,11H,1-7,9H2;1-2H3.
What are the key properties of 2-(4-aminoazepan-1-yl)ethanol;ethane?
2-(4-aminoazepan-1-yl)ethanol;ethane has a molecular weight of 188.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoazepan-1-yl)ethanol;ethane is sourced from PubChem (CID 143651485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).