N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C11H20N2O — CID 82725377

IUPACN-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1OCCC1NC1=NCCCCC1
InChIInChI=1S/C11H20N2O/c1-9-10(6-8-14-9)13-11-5-3-2-4-7-12-11/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyJHJIZEMLUIYJDJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.73
Rot. Bonds1

About N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 82725377) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID82725377
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1OCCC1NC1=NCCCCC1
InChIInChI=1S/C11H20N2O/c1-9-10(6-8-14-9)13-11-5-3-2-4-7-12-11/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyJHJIZEMLUIYJDJ-UHFFFAOYSA-N
XLogP1.73
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 82725377) is N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC1OCCC1NC1=NCCCCC1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is JHJIZEMLUIYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-10(6-8-14-9)13-11-5-3-2-4-7-12-11/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 196.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 82725377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).