N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine

C9H16N2O — CID 23378564

IUPACN-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
SMILESC=CCC1CCCCN=C1NO
InChIInChI=1S/C9H16N2O/c1-2-5-8-6-3-4-7-10-9(8)11-12/h2,8,12H,1,3-7H2,(H,10,11)
InChIKeyUAYSYROKVRGLGX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.74
Rot. Bonds2

About N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine

N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine (PubChem CID 23378564) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine.

Molecular Properties

Compound NameN-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
PubChem CID23378564
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
SMILESC=CCC1CCCCN=C1NO
InChIInChI=1S/C9H16N2O/c1-2-5-8-6-3-4-7-10-9(8)11-12/h2,8,12H,1,3-7H2,(H,10,11)
InChIKeyUAYSYROKVRGLGX-UHFFFAOYSA-N
XLogP1.74
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hexahydro-3-(2-propenyl)-1H-azepin-2-imine, monohydrochloride
CID 45259623
3-Allyl-azepan-(2Z)-ylideneamine; hydrochloride
CID 10845319
N-(2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
CID 23378576
N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
CID 59908783
4-Ethenyl-3,4,5,6-tetrahydro-N-hydroxy-2-pyridinamine
CID 55288177

Frequently Asked Questions

What is the IUPAC name of N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine?
The IUPAC name of N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine (CID 23378564) is N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine.
What is the SMILES notation for N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine?
The canonical SMILES for N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine is C=CCC1CCCCN=C1NO.
What is the InChIKey of N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine?
The InChIKey is UAYSYROKVRGLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-5-8-6-3-4-7-10-9(8)11-12/h2,8,12H,1,3-7H2,(H,10,11).
What are the key properties of N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine?
N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine has a molecular weight of 168.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine is sourced from PubChem (CID 23378564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).