3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide

C8H14N4 — CID 155349103

IUPAC3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide
SMILESC=C(N)C(=C)/C(N)=N/C=C(/C)N
InChIInChI=1S/C8H14N4/c1-5(9)4-12-8(11)6(2)7(3)10/h4H,2-3,9-10H2,1H3,(H2,11,12)/b5-4-
InChIKeyRXFWNLDOMMDAQO-PLNGDYQASA-N
MW166.23 g/mol
LogP0.19
Rot. Bonds3

About 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide

3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide (PubChem CID 155349103) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide.

Molecular Properties

Compound Name3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide
PubChem CID155349103
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide
SMILESC=C(N)C(=C)/C(N)=N/C=C(/C)N
InChIInChI=1S/C8H14N4/c1-5(9)4-12-8(11)6(2)7(3)10/h4H,2-3,9-10H2,1H3,(H2,11,12)/b5-4-
InChIKeyRXFWNLDOMMDAQO-PLNGDYQASA-N
XLogP0.19
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.19
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

2-(but-3-en-2-ylideneamino)ethene-1,1-diamine
CID 126596280
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
(Z)-4-(1-aminoethenylimino)pent-2-en-2-amine
CID 173482086
(Z)-1-(2-methylpentan-3-ylideneamino)prop-1-en-2-amine
CID 138719703
2-[[(E)-3-aminobut-2-enylidene]amino]prop-2-enal
CID 134492726
(Z)-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]prop-1-en-2-amine
CID 155330670
2-methyl(113C)prop-2-enal
CID 71749931
(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
CID 138700894
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
prop-1-en-2-amine;yttrium
CID 158882655
3-methyliminobut-1-en-2-amine
CID 142085830
acetic acid;2-methylprop-2-enal;propan-2-one
CID 162217327

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide?
The IUPAC name of 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide (CID 155349103) is 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide.
What is the SMILES notation for 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide?
The canonical SMILES for 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide is C=C(N)C(=C)/C(N)=N/C=C(/C)N.
What is the InChIKey of 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide?
The InChIKey is RXFWNLDOMMDAQO-PLNGDYQASA-N. The full InChI is InChI=1S/C8H14N4/c1-5(9)4-12-8(11)6(2)7(3)10/h4H,2-3,9-10H2,1H3,(H2,11,12)/b5-4-.
What are the key properties of 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide?
3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide has a molecular weight of 166.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide is sourced from PubChem (CID 155349103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).