(Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide

C10H18N4 — CID 137387818

IUPAC(Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\N(C)/C(C)=C/C(=C)NC
InChIInChI=1S/C10H18N4/c1-8(13-3)7-9(2)14(4)6-5-10(11)12/h5-7,13H,1H2,2-4H3,(H3,11,12)/b6-5-,9-7+
InChIKeyIEPPDGDLPFOABK-BZWSEGBZSA-N
MW194.28 g/mol
LogP1.00
Rot. Bonds5

About (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide

(Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide (PubChem CID 137387818) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide
PubChem CID137387818
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\N(C)/C(C)=C/C(=C)NC
InChIInChI=1S/C10H18N4/c1-8(13-3)7-9(2)14(4)6-5-10(11)12/h5-7,13H,1H2,2-4H3,(H3,11,12)/b6-5-,9-7+
InChIKeyIEPPDGDLPFOABK-BZWSEGBZSA-N
XLogP1.00
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.00
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

(Z)-3-[[(2E)-4-fluoropenta-2,4-dien-2-yl]amino]prop-2-enimidamide
CID 137282323
(2Z,4E)-3,5-diaminopenta-2,4-dienimidamide
CID 136760137
(Z)-3-amino-N'-[2-(dimethylamino)ethyl]-N-ethenylbut-2-enimidamide
CID 89881702
N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]ethanimidamide
CID 126498589
N-[(3Z,5Z)-6-(methylamino)hexa-1,3,5-trien-2-yl]imino-N'-[(E)-(1-methyl-2-pyridinylidene)amino]methanimidamide
CID 129309700
(Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide
CID 134595890
(2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide
CID 137123519
2-[[(2E)-1,2-diamino-2-(1H-pyridin-2-ylidene)ethylidene]amino]ethyl-trimethylazanium
CID 137215411
(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide
CID 137282310
(Z)-3-[[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]amino]prop-2-enimidamide
CID 137282317
(Z)-3-[[(2E)-penta-2,4-dien-2-yl]amino]prop-2-enimidamide
CID 137282355
(2Z,4Z)-5-(methylamino)-N-[(E)-C-methyl-N-[(E)-(1-methyl-2-pyridinylidene)amino]carbonimidoyl]iminopenta-2,4-dienimidamide
CID 137288467

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide?
The IUPAC name of (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide (CID 137387818) is (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide?
The canonical SMILES for (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide is [H]/N=C(N)/C=C\N(C)/C(C)=C/C(=C)NC.
What is the InChIKey of (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide?
The InChIKey is IEPPDGDLPFOABK-BZWSEGBZSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(13-3)7-9(2)14(4)6-5-10(11)12/h5-7,13H,1H2,2-4H3,(H3,11,12)/b6-5-,9-7+.
What are the key properties of (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide?
(Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide is sourced from PubChem (CID 137387818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).