1-[2-(azepan-1-yl)ethylamino]propan-2-ol

C11H24N2O — CID 104594544

IUPAC1-[2-(azepan-1-yl)ethylamino]propan-2-ol
SMILESCC(O)CNCCN1CCCCCC1
InChIInChI=1S/C11H24N2O/c1-11(14)10-12-6-9-13-7-4-2-3-5-8-13/h11-12,14H,2-10H2,1H3
InChIKeyGNSIHQHUBVVFJN-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds5

About 1-[2-(azepan-1-yl)ethylamino]propan-2-ol

1-[2-(azepan-1-yl)ethylamino]propan-2-ol (PubChem CID 104594544) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)ethylamino]propan-2-ol
PubChem CID104594544
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[2-(azepan-1-yl)ethylamino]propan-2-ol
SMILESCC(O)CNCCN1CCCCCC1
InChIInChI=1S/C11H24N2O/c1-11(14)10-12-6-9-13-7-4-2-3-5-8-13/h11-12,14H,2-10H2,1H3
InChIKeyGNSIHQHUBVVFJN-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555
1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 62641762
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
methyl (2S)-2-methyl-3-(2-piperidin-1-ylethylamino)propanoate
CID 94133680
1-(diethylamino)-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 54967373
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 107441168
2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 104519156
1-cyclopentyl-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 103157548
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(azepan-1-yl)ethylamino]propan-2-ol (CID 104594544) is 1-[2-(azepan-1-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(azepan-1-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(azepan-1-yl)ethylamino]propan-2-ol is CC(O)CNCCN1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)ethylamino]propan-2-ol?
The InChIKey is GNSIHQHUBVVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(14)10-12-6-9-13-7-4-2-3-5-8-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-[2-(azepan-1-yl)ethylamino]propan-2-ol?
1-[2-(azepan-1-yl)ethylamino]propan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 104594544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).