1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine

C18H33N5 — CID 123235469

IUPAC1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine
SMILESC=C(C=CC(=CC)N(C)C(=C)C(C)(C)NC)C/N=C(\N)NCC
InChIInChI=1S/C18H33N5/c1-9-16(23(8)15(4)18(5,6)20-7)12-11-14(3)13-22-17(19)21-10-2/h9,11-12,20H,3-4,10,13H2,1-2,5-8H3,(H3,19,21,22)
InChIKeyVENIVSZPUULNKM-UHFFFAOYSA-N
MW319.50 g/mol
LogP2.37
Rot. Bonds9

About 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine

1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine (PubChem CID 123235469) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine
PubChem CID123235469
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC Name1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine
SMILESC=C(C=CC(=CC)N(C)C(=C)C(C)(C)NC)C/N=C(\N)NCC
InChIInChI=1S/C18H33N5/c1-9-16(23(8)15(4)18(5,6)20-7)12-11-14(3)13-22-17(19)21-10-2/h9,11-12,20H,3-4,10,13H2,1-2,5-8H3,(H3,19,21,22)
InChIKeyVENIVSZPUULNKM-UHFFFAOYSA-N
XLogP2.37
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 52.37
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'}

Analyze 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine
CID 89171591
N'-[2-[[(3E,5Z)-7-aminoocta-1,3,5-trien-3-yl]-[2-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]ethyl]amino]ethyl]-N-[(2Z,4Z,6E)-5-ethenylnona-2,4,6,8-tetraen-4-yl]methanimidamide
CID 129180958
1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine
CID 134310260
ethane;N'-ethyl-N'-(3-ethyl-6-methylidene-5,7-dihydro-4H-pyrido[4,3-d][1,3]diazepin-2-yl)-N-methylethane-1,2-diamine
CID 141771398
(NZ)-N-(aminomethylidene)-N'-[(6-methylidene-2,3-dihydro-1H-pyridin-4-yl)methyl]piperazine-1-carboximidamide;ethane
CID 141771425
ethane;(5E,6E)-4-N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-N-ethyl-6-ethylidene-5-prop-2-enylidene-2-N-propylpyrimidine-2,4-diamine;propane
CID 141966229
(3E)-1-[2-[[(5E)-2,6-dimethyl-5-(propan-2-ylideneamino)octa-2,5-dienyl]amino]prop-2-enyl]-3-[2-[[(3E)-6-ethenyl-3-methylocta-3,5,7-trien-2-yl]amino]hexa-1,5-dien-3-ylidene]-1-methyl-2-prop-1-en-2-ylguanidine;ethane
CID 143346807
ethane;(5Z,6E)-6-ethylidene-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-2-[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperazin-1-yl]-5-prop-2-enylidene-4H-pyrimidine;methanamine;methane
CID 144862240
2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine
CID 155371886
N-[(E)-2-amino-3-[[(1Z)-2-methylbuta-1,3-dienyl]-[(Z)-2-methylidenepent-3-enyl]amino]prop-1-enyl]-N'-but-3-enylethanimidamide
CID 156421168
(5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine
CID 167233357
(E)-N-[[(6E)-4-[(Z)-but-2-en-2-yl]-5-methyl-6-propylidene-1H-pyrimidin-2-yl]methyl]-N-propylbut-2-en-1-amine
CID 173965440

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine (CID 123235469) is 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine is C=C(C=CC(=CC)N(C)C(=C)C(C)(C)NC)C/N=C(\N)NCC.
What is the InChIKey of 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine?
The InChIKey is VENIVSZPUULNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5/c1-9-16(23(8)15(4)18(5,6)20-7)12-11-14(3)13-22-17(19)21-10-2/h9,11-12,20H,3-4,10,13H2,1-2,5-8H3,(H3,19,21,22).
What are the key properties of 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine?
1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine has a molecular weight of 319.50 g/mol, XLogP of 2.37, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-methylidene-5-[methyl-[3-methyl-3-(methylamino)but-1-en-2-yl]amino]hepta-3,5-dienyl]guanidine is sourced from PubChem (CID 123235469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).