N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide

C8H13N3 — CID 90452898

IUPACN-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide
SMILES[H]/N=C/N=C(\C=C/C)C(/C)=C/N
InChIInChI=1S/C8H13N3/c1-3-4-8(11-6-10)7(2)5-9/h3-6,10H,9H2,1-2H3/b4-3-,7-5+,10-6+,11-8+
InChIKeyCZSGRCKELFRFIH-AZYIVWTFSA-N
MW151.21 g/mol
LogP1.47
Rot. Bonds3

About N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide

N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide (PubChem CID 90452898) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide
PubChem CID90452898
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide
SMILES[H]/N=C/N=C(\C=C/C)C(/C)=C/N
InChIInChI=1S/C8H13N3/c1-3-4-8(11-6-10)7(2)5-9/h3-6,10H,9H2,1-2H3/b4-3-,7-5+,10-6+,11-8+
InChIKeyCZSGRCKELFRFIH-AZYIVWTFSA-N
XLogP1.47
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]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

N-[(1E)-1-amino-2-methylpenta-1,4-dien-3-ylidene]methanimidamide
CID 90453946
N-[(1E,4E)-1-amino-2-methyl-5-(methylaminooxy)hexa-1,4-dien-3-ylidene]methanimidamide
CID 90453444
methyl N-methanimidoylethanimidothioate
CID 129258091
(N'-methanimidoylcarbamimidoyl)sulfanyl N-methanimidoylethanimidothioate
CID 123419099
N-[(Z)-oct-2-en-4-ylidene]methanimidamide
CID 118327149
(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
CID 167286267
(Z)-4-amino-4-methanimidoyliminobut-2-enethioamide
CID 168898527
N-[bis(methylsulfanyl)methylidene]methanimidamide
CID 156561995
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
N-[1-(methylamino)propan-2-ylidene]methanimidamide
CID 142272138
N-methanimidoylpropanimidoyl chloride
CID 146526753
N-[4-(methylamino)butan-2-ylidene]methanimidamide
CID 118973434

Frequently Asked Questions

What is the IUPAC name of N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide?
The IUPAC name of N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide (CID 90452898) is N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide.
What is the SMILES notation for N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide?
The canonical SMILES for N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide is [H]/N=C/N=C(\C=C/C)C(/C)=C/N.
What is the InChIKey of N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide?
The InChIKey is CZSGRCKELFRFIH-AZYIVWTFSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-4-8(11-6-10)7(2)5-9/h3-6,10H,9H2,1-2H3/b4-3-,7-5+,10-6+,11-8+.
What are the key properties of N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide?
N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide is sourced from PubChem (CID 90452898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).