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

C9H20N2O — CID 79125789

IUPAC4-(2-aminoethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(CCN)CC1
InChIInChI=1S/C9H20N2O/c1-11-7-2-3-9(12,4-6-10)5-8-11/h12H,2-8,10H2,1H3
InChIKeyNQXIJXHXQOFEOS-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds2

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

4-(2-aminoethyl)-1-methylazepan-4-ol (PubChem CID 79125789) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-methylazepan-4-ol
PubChem CID79125789
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(2-aminoethyl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(CCN)CC1
InChIInChI=1S/C9H20N2O/c1-11-7-2-3-9(12,4-6-10)5-8-11/h12H,2-8,10H2,1H3
InChIKeyNQXIJXHXQOFEOS-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
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-methylazepan-4-ol?
The IUPAC name of 4-(2-aminoethyl)-1-methylazepan-4-ol (CID 79125789) is 4-(2-aminoethyl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-1-methylazepan-4-ol is CN1CCCC(O)(CCN)CC1.
What is the InChIKey of 4-(2-aminoethyl)-1-methylazepan-4-ol?
The InChIKey is NQXIJXHXQOFEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11-7-2-3-9(12,4-6-10)5-8-11/h12H,2-8,10H2,1H3.
What are the key properties of 4-(2-aminoethyl)-1-methylazepan-4-ol?
4-(2-aminoethyl)-1-methylazepan-4-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-methylazepan-4-ol is sourced from PubChem (CID 79125789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).