N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide

C22H33N5 — CID 143344611

IUPACN-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide
SMILESC=C1CCC2=C(N1)/C(C)=C(/CNC(=C)/C(CN(C)C)=N\C=N\C)CC=CC2
InChIInChI=1S/C22H33N5/c1-16-11-12-19-9-7-8-10-20(17(2)22(19)26-16)13-24-18(3)21(14-27(5)6)25-15-23-4/h7-8,15,24,26H,1,3,9-14H2,2,4-6H3/b8-7?,20-17+,23-15+,25-21-
InChIKeyXERIBMSWKVJFND-WMRMUUTOSA-N
MW367.54 g/mol
LogP3.57
Rot. Bonds7

About N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide

N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide (PubChem CID 143344611) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide
PubChem CID143344611
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC NameN-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide
SMILESC=C1CCC2=C(N1)/C(C)=C(/CNC(=C)/C(CN(C)C)=N\C=N\C)CC=CC2
InChIInChI=1S/C22H33N5/c1-16-11-12-19-9-7-8-10-20(17(2)22(19)26-16)13-24-18(3)21(14-27(5)6)25-15-23-4/h7-8,15,24,26H,1,3,9-14H2,2,4-6H3/b8-7?,20-17+,23-15+,25-21-
InChIKeyXERIBMSWKVJFND-WMRMUUTOSA-N
XLogP3.57
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide 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

N-[(4E)-6-[[(6E)-6,7-dimethylnona-6,8-dien-2-yl]amino]-2-[[(3Z,5E)-5-fluoro-6-methylocta-3,5,7-trienyl]amino]-5-methylhepta-1,4,6-trien-3-ylidene]-N'-methylethanimidamide
CID 143342612
[4-Ethyl-5-methylimino-11-(prop-2-enylamino)trideca-3,7,10,12-tetraen-3-yl]-methyl-methylideneazanium
CID 91589718
N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide
CID 123483519
acetylene;N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide;ethane;(2E,3Z)-N-ethenyl-2-ethylidene-6-methyl-5-methylidenehepta-3,6-dien-1-amine
CID 143344610
ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine
CID 143345098
N-[(3Z)-4-[6-[(4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]cycloocta-2,4,7-trien-1-yl]-1-methyl-4H-pyrimidin-2-yl]buta-1,3-dien-2-yl]cyclohexanamine
CID 143419223
(5Z,6E)-6-[(Z)-but-2-enylidene]-4-N-butyl-2-N-methyl-5-prop-2-enylidene-4-N-propylpyridine-2,4-diamine;ethane
CID 171501045
1-[1-[(3Z,6Z)-5-ethylidene-2,8-dimethylideneazocin-1-yl]propan-2-yl]-N-[(6-methyl-2,3,4,5-tetrahydroazocin-8-yl)methyl]piperidin-4-amine
CID 173712304
6-[(4E)-6-(diethylamino)cyclonona-1,4,8-trien-1-yl]-N-ethyl-2-methylimino-3H-pyridin-4-amine
CID 173719789
N'-ethyl-N-[(6E)-4-methylidene-2-[(2-methylidene-1,3,4,7-tetrahydrocyclohepta[b]pyridin-8-yl)methylamino]-7-[[(E)-pent-2-enyl]amino]hepta-1,6-dien-3-ylidene]methanimidamide
CID 143342646
N-[(4E)-2-[[4-[[[(4Z)-4-ethylidene-2-methyl-3-methylidenecyclobuten-1-yl]amino]methyl]cyclohepta-1,4,6-trien-1-yl]methylamino]-5,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-(N'-methylcarbamimidoyl)ethanimidamide
CID 143343944
(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine
CID 143345099

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide?
The IUPAC name of N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide (CID 143344611) is N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide?
The canonical SMILES for N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide is C=C1CCC2=C(N1)/C(C)=C(/CNC(=C)/C(CN(C)C)=N\C=N\C)CC=CC2.
What is the InChIKey of N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide?
The InChIKey is XERIBMSWKVJFND-WMRMUUTOSA-N. The full InChI is InChI=1S/C22H33N5/c1-16-11-12-19-9-7-8-10-20(17(2)22(19)26-16)13-24-18(3)21(14-27(5)6)25-15-23-4/h7-8,15,24,26H,1,3,9-14H2,2,4-6H3/b8-7?,20-17+,23-15+,25-21-.
What are the key properties of N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide?
N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide has a molecular weight of 367.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide is sourced from PubChem (CID 143344611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).