N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide

C7H13N3 — CID 130341577

IUPACN-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide
SMILESC/C=C/C(N)=C\N/C=N/C
InChIInChI=1S/C7H13N3/c1-3-4-7(8)5-10-6-9-2/h3-6H,8H2,1-2H3,(H,9,10)/b4-3+,7-5+
InChIKeyPNTWUOKZDRBYHB-BDWKERMESA-N
MW139.20 g/mol
LogP0.61
Rot. Bonds3

About N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide

N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide (PubChem CID 130341577) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide
PubChem CID130341577
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide
SMILESC/C=C/C(N)=C\N/C=N/C
InChIInChI=1S/C7H13N3/c1-3-4-7(8)5-10-6-9-2/h3-6H,8H2,1-2H3,(H,9,10)/b4-3+,7-5+
InChIKeyPNTWUOKZDRBYHB-BDWKERMESA-N
XLogP0.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.61
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'}

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Related Compounds

N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide
CID 143367815
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(Z)-N-(methyliminomethyl)but-2-enamide
CID 126653439
(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine
CID 163979290
N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine
CID 144517772
N'-hydroxybut-2-enimidamide
CID 91580832
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(E)-N'-aminobut-2-enimidamide
CID 142083872
(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol
CID 88558814
(Z)-2-methyliminopent-3-enamide
CID 126689701

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide (CID 130341577) is N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide is C/C=C/C(N)=C\N/C=N/C.
What is the InChIKey of N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide?
The InChIKey is PNTWUOKZDRBYHB-BDWKERMESA-N. The full InChI is InChI=1S/C7H13N3/c1-3-4-7(8)5-10-6-9-2/h3-6H,8H2,1-2H3,(H,9,10)/b4-3+,7-5+.
What are the key properties of N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide?
N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide is sourced from PubChem (CID 130341577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).