1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol

C11H20N2O — CID 79504169

IUPAC1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol
SMILESOC(CNC1=NCCCCC1)C1CC1
InChIInChI=1S/C11H20N2O/c14-10(9-5-6-9)8-13-11-4-2-1-3-7-12-11/h9-10,14H,1-8H2,(H,12,13)
InChIKeyFMJXYZDWSUUFQA-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.32
Rot. Bonds3

About 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol

1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol (PubChem CID 79504169) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol
PubChem CID79504169
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol
SMILESOC(CNC1=NCCCCC1)C1CC1
InChIInChI=1S/C11H20N2O/c14-10(9-5-6-9)8-13-11-4-2-1-3-7-12-11/h9-10,14H,1-8H2,(H,12,13)
InChIKeyFMJXYZDWSUUFQA-UHFFFAOYSA-N
XLogP1.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol (CID 79504169) is 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol is OC(CNC1=NCCCCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol?
The InChIKey is FMJXYZDWSUUFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c14-10(9-5-6-9)8-13-11-4-2-1-3-7-12-11/h9-10,14H,1-8H2,(H,12,13).
What are the key properties of 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol?
1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol has a molecular weight of 196.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanol is sourced from PubChem (CID 79504169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).