N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine

C12H23N3O — CID 59924277

IUPACN-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
SMILESCC(N)C/C=C\CC1CCCCC(NO)=N1
InChIInChI=1S/C12H23N3O/c1-10(13)6-2-3-7-11-8-4-5-9-12(14-11)15-16/h2-3,10-11,16H,4-9,13H2,1H3,(H,14,15)/b3-2-
InChIKeyNBUFHACICUPMEB-IHWYPQMZSA-N
MW225.34 g/mol
LogP1.99
Rot. Bonds4

About N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine

N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine (PubChem CID 59924277) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
PubChem CID59924277
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
SMILESCC(N)C/C=C\CC1CCCCC(NO)=N1
InChIInChI=1S/C12H23N3O/c1-10(13)6-2-3-7-11-8-4-5-9-12(14-11)15-16/h2-3,10-11,16H,4-9,13H2,1H3,(H,14,15)/b3-2-
InChIKeyNBUFHACICUPMEB-IHWYPQMZSA-N
XLogP1.99
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine with MolForge

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Related Compounds

((E)-7-But-2-enyl)-azepan-(2Z)-ylideneamine
CID 10012278
2-[(E)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 18340016
N-[2-[(E)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
CID 18340019
N-(2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
CID 23378576
2-but-1-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 54004246
(2R)-2-[(Z)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59072761
(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59072786
N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
CID 59908783
(2S)-2-[(E,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908785
(2S)-2-[(Z,5S)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908787
2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908788
(2R)-2-[(E,5S)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908794

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine?
The IUPAC name of N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine (CID 59924277) is N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine.
What is the SMILES notation for N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine?
The canonical SMILES for N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine is CC(N)C/C=C\CC1CCCCC(NO)=N1.
What is the InChIKey of N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine?
The InChIKey is NBUFHACICUPMEB-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(13)6-2-3-7-11-8-4-5-9-12(14-11)15-16/h2-3,10-11,16H,4-9,13H2,1H3,(H,14,15)/b3-2-.
What are the key properties of N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine?
N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine has a molecular weight of 225.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine is sourced from PubChem (CID 59924277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).