N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide

C11H17N3 — CID 143086572

IUPACN-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide
SMILESC=C/C=C\C=C(/C)C(=C)/N=C/N(C)N
InChIInChI=1S/C11H17N3/c1-5-6-7-8-10(2)11(3)13-9-14(4)12/h5-9H,1,3,12H2,2,4H3/b7-6-,10-8+,13-9+
InChIKeyCQMRJKGDSXZJAL-CUYUDEKSSA-N
MW191.28 g/mol
LogP2.02
Rot. Bonds5

About N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide

N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide (PubChem CID 143086572) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide.

Molecular Properties

Compound NameN-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide
PubChem CID143086572
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide
SMILESC=C/C=C\C=C(/C)C(=C)/N=C/N(C)N
InChIInChI=1S/C11H17N3/c1-5-6-7-8-10(2)11(3)13-9-14(4)12/h5-9H,1,3,12H2,2,4H3/b7-6-,10-8+,13-9+
InChIKeyCQMRJKGDSXZJAL-CUYUDEKSSA-N
XLogP2.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide 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

(2Z,4E,6Z,8Z)-3,4-dimethylundeca-2,4,6,8,10-pentaen-2-amine
CID 167289416
6-bromohepta-1,3,5-triene
CID 123654102
1-buta-1,3-dienyl-1-methylhydrazine
CID 91065871
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole
CID 142044127
(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine
CID 155465991
(3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine
CID 170211366
carbamoyl (2E,4E)-2-methylhepta-2,4,6-trieneperoxoate
CID 142683582
(2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine
CID 102196046
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
(2Z,4Z)-N-[(2E)-penta-2,4-dien-2-yl]-N-prop-1-en-2-ylhepta-2,4,6-trien-1-amine
CID 142288862
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303

Frequently Asked Questions

What is the IUPAC name of N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide?
The IUPAC name of N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide (CID 143086572) is N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide.
What is the SMILES notation for N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide?
The canonical SMILES for N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide is C=C/C=C\C=C(/C)C(=C)/N=C/N(C)N.
What is the InChIKey of N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide?
The InChIKey is CQMRJKGDSXZJAL-CUYUDEKSSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-6-7-8-10(2)11(3)13-9-14(4)12/h5-9H,1,3,12H2,2,4H3/b7-6-,10-8+,13-9+.
What are the key properties of N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide?
N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide has a molecular weight of 191.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methyl-N'-[(3E,5Z)-3-methylocta-1,3,5,7-tetraen-2-yl]methanimidamide is sourced from PubChem (CID 143086572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).