(1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine

C9H19N3O — CID 90453890

IUPAC(1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine
SMILESCN/C=C(\C)C(N)/C=C(\C)ONC
InChIInChI=1S/C9H19N3O/c1-7(6-11-3)9(10)5-8(2)13-12-4/h5-6,9,11-12H,10H2,1-4H3/b7-6+,8-5+
InChIKeyWJGKYFHSJNTAGV-ZCOYIIAOSA-N
MW185.27 g/mol
LogP0.49
Rot. Bonds5

About (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine

(1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine (PubChem CID 90453890) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine.

Molecular Properties

Compound Name(1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine
PubChem CID90453890
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine
SMILESCN/C=C(\C)C(N)/C=C(\C)ONC
InChIInChI=1S/C9H19N3O/c1-7(6-11-3)9(10)5-8(2)13-12-4/h5-6,9,11-12H,10H2,1-4H3/b7-6+,8-5+
InChIKeyWJGKYFHSJNTAGV-ZCOYIIAOSA-N
XLogP0.49
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine 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

(1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine
CID 90452911
N-[(Z)-but-2-en-2-yl]oxymethanamine
CID 129194467
methylamino (E)-4,4-diaminobut-2-enoate
CID 163951898
ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol
CID 166484187
O-[(2E,5E)-4-amino-6-methoxy-5-methyl-6-(methylideneamino)hexa-2,5-dien-2-yl]hydroxylamine
CID 90452772
N-[(1E,4E)-1-amino-2-methyl-5-(methylaminooxy)hexa-1,4-dien-3-ylidene]methanimidamide
CID 90453444
(NE)-N-[(Z)-3-amino-5-(methylamino)hex-4-en-2-ylidene]hydroxylamine
CID 172961329
(E)-4-methoxy-N,2-dimethylbut-1-en-1-amine
CID 174271383
methyl 2-amino-4-methyl-5-phosphanylpent-3-enoate
CID 175336556
4-methoxypent-3-en-2-ol
CID 71375431
N-(1-amino-2-methylpropyl)hydroxylamine
CID 143791715
acetamide;bis(N-methylmethanamine)
CID 172694142

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine?
The IUPAC name of (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine (CID 90453890) is (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine.
What is the SMILES notation for (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine?
The canonical SMILES for (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine is CN/C=C(\C)C(N)/C=C(\C)ONC.
What is the InChIKey of (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine?
The InChIKey is WJGKYFHSJNTAGV-ZCOYIIAOSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(6-11-3)9(10)5-8(2)13-12-4/h5-6,9,11-12H,10H2,1-4H3/b7-6+,8-5+.
What are the key properties of (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine?
(1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine has a molecular weight of 185.27 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-N,2-dimethyl-5-(methylaminooxy)hexa-1,4-diene-1,3-diamine is sourced from PubChem (CID 90453890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).