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'}

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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).