3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine

C12H20N6 — CID 163583534

IUPAC3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine
SMILES[H]/N=C(\C=C(N=C1C=C(C)N1)NC)N1CCNCC1
InChIInChI=1S/C12H20N6/c1-9-7-12(16-9)17-11(14-2)8-10(13)18-5-3-15-4-6-18/h7-8,13-15H,3-6H2,1-2H3,(H,16,17)/b11-8?,13-10+
InChIKeyRWUDVKPYXCDYOV-WNZPBGDVSA-N
MW248.33 g/mol
LogP-0.16
Rot. Bonds3

About 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine

3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine (PubChem CID 163583534) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine.

Molecular Properties

Compound Name3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine
PubChem CID163583534
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine
SMILES[H]/N=C(\C=C(N=C1C=C(C)N1)NC)N1CCNCC1
InChIInChI=1S/C12H20N6/c1-9-7-12(16-9)17-11(14-2)8-10(13)18-5-3-15-4-6-18/h7-8,13-15H,3-6H2,1-2H3,(H,16,17)/b11-8?,13-10+
InChIKeyRWUDVKPYXCDYOV-WNZPBGDVSA-N
XLogP-0.16
TPSA75.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(E)-4-imino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 68400036
(Z)-4-ethenylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 89881701
5-Piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123260475
N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide
CID 126706479
ethane;(2E)-1-methylimino-1-piperazin-1-yl-N-propan-2-ylpenta-2,4-dien-2-amine
CID 144239693
ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 144622151
(2Z)-2-(4,5-dimethylpiperazin-2-ylidene)ethanimidamide
CID 145573417
ethane;(2Z)-2-(4-ethylpiperazin-2-ylidene)ethanimidamide
CID 145573509
(2Z)-2-(4,5-dimethylpiperazin-2-ylidene)-N'-methylethanimidamide
CID 148190135
N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine
CID 153629257
(Z)-3-amino-N'-[3-(azetidin-1-yl)-3-imino-1-(methylamino)prop-1-enyl]but-2-enimidamide
CID 163511950

Frequently Asked Questions

What is the IUPAC name of 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine?
The IUPAC name of 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine (CID 163583534) is 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine.
What is the SMILES notation for 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine?
The canonical SMILES for 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine is [H]/N=C(\C=C(N=C1C=C(C)N1)NC)N1CCNCC1.
What is the InChIKey of 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine?
The InChIKey is RWUDVKPYXCDYOV-WNZPBGDVSA-N. The full InChI is InChI=1S/C12H20N6/c1-9-7-12(16-9)17-11(14-2)8-10(13)18-5-3-15-4-6-18/h7-8,13-15H,3-6H2,1-2H3,(H,16,17)/b11-8?,13-10+.
What are the key properties of 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine?
3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine has a molecular weight of 248.33 g/mol, XLogP of -0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-methyl-1-[(4-methyl-1H-azet-2-ylidene)amino]-3-piperazin-1-ylprop-1-en-1-amine is sourced from PubChem (CID 163583534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).