N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide

C9H15N3 — CID 129288826

IUPACN-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
SMILESC=C/C=C(N/C=N/C)\C(C)=C/N
InChIInChI=1S/C9H15N3/c1-4-5-9(8(2)6-10)12-7-11-3/h4-7H,1,10H2,2-3H3,(H,11,12)/b8-6-,9-5+
InChIKeyNOPXUGVAWFAXRL-POEMVANMSA-N
MW165.24 g/mol
LogP1.17
Rot. Bonds4

About N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide

N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide (PubChem CID 129288826) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
PubChem CID129288826
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
SMILESC=C/C=C(N/C=N/C)\C(C)=C/N
InChIInChI=1S/C9H15N3/c1-4-5-9(8(2)6-10)12-7-11-3/h4-7H,1,10H2,2-3H3,(H,11,12)/b8-6-,9-5+
InChIKeyNOPXUGVAWFAXRL-POEMVANMSA-N
XLogP1.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.17
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide (CID 129288826) is N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide is C=C/C=C(N/C=N/C)\C(C)=C/N.
What is the InChIKey of N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide?
The InChIKey is NOPXUGVAWFAXRL-POEMVANMSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-5-9(8(2)6-10)12-7-11-3/h4-7H,1,10H2,2-3H3,(H,11,12)/b8-6-,9-5+.
What are the key properties of N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide?
N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 129288826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).