N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide

C9H16N4 — CID 130337498

IUPACN'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide
SMILESC=CN/C(C)=C(\N)C(C)=C/N=C/N
InChIInChI=1S/C9H16N4/c1-4-13-8(3)9(11)7(2)5-12-6-10/h4-6,13H,1,11H2,2-3H3,(H2,10,12)/b7-5?,9-8-
InChIKeyAZKVNRLADFPRSW-RLDRTREZSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds4

About N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide

N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide (PubChem CID 130337498) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide
PubChem CID130337498
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide
SMILESC=CN/C(C)=C(\N)C(C)=C/N=C/N
InChIInChI=1S/C9H16N4/c1-4-13-8(3)9(11)7(2)5-12-6-10/h4-6,13H,1,11H2,2-3H3,(H2,10,12)/b7-5?,9-8-
InChIKeyAZKVNRLADFPRSW-RLDRTREZSA-N
XLogP0.80
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 123513176
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
CID 124199139
(2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine
CID 126676264
N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 129288826
N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide
CID 130337496
(1E,3E,5Z)-4-ethenyl-N-methyl-5-(methylideneamino)-N'-propylhepta-1,3,5-triene-1,7-diamine
CID 132038843
(3Z,5E,6E)-8-N-methyl-5-[(E)-pent-2-enylidene]octa-1,3,6-triene-1,1,4,8-tetramine
CID 132044503
N'-methyl-N-[(2Z,4E)-4-methylhepta-2,4-dien-2-yl]methanimidamide
CID 134375977

Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide (CID 130337498) is N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide is C=CN/C(C)=C(\N)C(C)=C/N=C/N.
What is the InChIKey of N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide?
The InChIKey is AZKVNRLADFPRSW-RLDRTREZSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-13-8(3)9(11)7(2)5-12-6-10/h4-6,13H,1,11H2,2-3H3,(H2,10,12)/b7-5?,9-8-.
What are the key properties of N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide?
N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide has a molecular weight of 180.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 130337498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).