4-(2-aminoethyl)-1-ethylazepan-4-ol

C10H22N2O — CID 79125241

IUPAC4-(2-aminoethyl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(CCN)CC1
InChIInChI=1S/C10H22N2O/c1-2-12-8-3-4-10(13,5-7-11)6-9-12/h13H,2-9,11H2,1H3
InChIKeyHQVCKUDHOGTIEH-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds3

About 4-(2-aminoethyl)-1-ethylazepan-4-ol

4-(2-aminoethyl)-1-ethylazepan-4-ol (PubChem CID 79125241) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-ethylazepan-4-ol
PubChem CID79125241
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-(2-aminoethyl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(CCN)CC1
InChIInChI=1S/C10H22N2O/c1-2-12-8-3-4-10(13,5-7-11)6-9-12/h13H,2-9,11H2,1H3
InChIKeyHQVCKUDHOGTIEH-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-ethylazepan-4-ol?
The IUPAC name of 4-(2-aminoethyl)-1-ethylazepan-4-ol (CID 79125241) is 4-(2-aminoethyl)-1-ethylazepan-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-1-ethylazepan-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-1-ethylazepan-4-ol is CCN1CCCC(O)(CCN)CC1.
What is the InChIKey of 4-(2-aminoethyl)-1-ethylazepan-4-ol?
The InChIKey is HQVCKUDHOGTIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-12-8-3-4-10(13,5-7-11)6-9-12/h13H,2-9,11H2,1H3.
What are the key properties of 4-(2-aminoethyl)-1-ethylazepan-4-ol?
4-(2-aminoethyl)-1-ethylazepan-4-ol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-ethylazepan-4-ol is sourced from PubChem (CID 79125241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).