N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine

C12H24N2O — CID 91360662

IUPACN-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine
SMILESCC/C=N/C(C)=C(CC)CCCCNO
InChIInChI=1S/C12H24N2O/c1-4-9-13-11(3)12(5-2)8-6-7-10-14-15/h9,14-15H,4-8,10H2,1-3H3/b12-11?,13-9+
InChIKeyUSTQKGDDGHTGKK-VKDMWPSMSA-N
MW212.34 g/mol
LogP3.30
Rot. Bonds8

About N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine

N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine (PubChem CID 91360662) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine.

Molecular Properties

Compound NameN-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine
PubChem CID91360662
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine
SMILESCC/C=N/C(C)=C(CC)CCCCNO
InChIInChI=1S/C12H24N2O/c1-4-9-13-11(3)12(5-2)8-6-7-10-14-15/h9,14-15H,4-8,10H2,1-3H3/b12-11?,13-9+
InChIKeyUSTQKGDDGHTGKK-VKDMWPSMSA-N
XLogP3.30
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(hydroxyamino)octan-2-one
CID 89395522
(Z)-N,N-dimethyl-3-(propylideneamino)but-2-en-2-amine
CID 122697757
7-ethyl-8-methylnona-1,7-diene
CID 174916778
ethane;N-hexylhydroxylamine
CID 23139656
N-propylidenehept-6-enamide
CID 87366045
N-propylideneundecanamide
CID 90933467
1,3-di(propylidene)guanidine
CID 174857851
N'-(methylamino)-N-propylideneethanimidamide
CID 166794692
N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367
2-(3-methylbut-2-en-2-ylimino)ethanethiol
CID 155484552
N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine
CID 122513613
N-[(Z)-octadec-9-enyl]hydroxylamine
CID 87125672

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine?
The IUPAC name of N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine (CID 91360662) is N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine.
What is the SMILES notation for N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine?
The canonical SMILES for N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine is CC/C=N/C(C)=C(CC)CCCCNO.
What is the InChIKey of N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine?
The InChIKey is USTQKGDDGHTGKK-VKDMWPSMSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-9-13-11(3)12(5-2)8-6-7-10-14-15/h9,14-15H,4-8,10H2,1-3H3/b12-11?,13-9+.
What are the key properties of N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine?
N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine has a molecular weight of 212.34 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-6-(propylideneamino)hept-5-enyl]hydroxylamine is sourced from PubChem (CID 91360662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).