2-[3-(azepan-1-yl)propylamino]ethanol

C11H24N2O — CID 53216056

IUPAC2-[3-(azepan-1-yl)propylamino]ethanol
SMILESOCCNCCCN1CCCCCC1
InChIInChI=1S/C11H24N2O/c14-11-7-12-6-5-10-13-8-3-1-2-4-9-13/h12,14H,1-11H2
InChIKeyBPCNMCVWWIPGQL-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds6

About 2-[3-(azepan-1-yl)propylamino]ethanol

2-[3-(azepan-1-yl)propylamino]ethanol (PubChem CID 53216056) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[3-(azepan-1-yl)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(azepan-1-yl)propylamino]ethanol
PubChem CID53216056
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[3-(azepan-1-yl)propylamino]ethanol
SMILESOCCNCCCN1CCCCCC1
InChIInChI=1S/C11H24N2O/c14-11-7-12-6-5-10-13-8-3-1-2-4-9-13/h12,14H,1-11H2
InChIKeyBPCNMCVWWIPGQL-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
CID 81414181
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol
CID 62991883
acetylene;3-piperidin-1-ylpropan-1-ol
CID 162683866
10-piperidin-1-yldecan-1-ol
CID 22218518

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepan-1-yl)propylamino]ethanol?
The IUPAC name of 2-[3-(azepan-1-yl)propylamino]ethanol (CID 53216056) is 2-[3-(azepan-1-yl)propylamino]ethanol.
What is the SMILES notation for 2-[3-(azepan-1-yl)propylamino]ethanol?
The canonical SMILES for 2-[3-(azepan-1-yl)propylamino]ethanol is OCCNCCCN1CCCCCC1.
What is the InChIKey of 2-[3-(azepan-1-yl)propylamino]ethanol?
The InChIKey is BPCNMCVWWIPGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c14-11-7-12-6-5-10-13-8-3-1-2-4-9-13/h12,14H,1-11H2.
What are the key properties of 2-[3-(azepan-1-yl)propylamino]ethanol?
2-[3-(azepan-1-yl)propylamino]ethanol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepan-1-yl)propylamino]ethanol is sourced from PubChem (CID 53216056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).