(4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine

C13H17N3 — CID 164568249

IUPAC(4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine
SMILESC/N=C1\CCC2=C(N)/C=C\C=C/C=C\2N1C
InChIInChI=1S/C13H17N3/c1-15-13-9-8-10-11(14)6-4-3-5-7-12(10)16(13)2/h3-7H,8-9,14H2,1-2H3/b4-3-,5-3-,6-4-,7-5-,11-6+,11-10+,12-7+,15-13+
InChIKeyDSEUXDQOLFLUCW-XSZDEKHFSA-N
MW215.30 g/mol
LogP1.96
Rot. Bonds

About (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine

(4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine (PubChem CID 164568249) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine.

Molecular Properties

Compound Name(4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine
PubChem CID164568249
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine
SMILESC/N=C1\CCC2=C(N)/C=C\C=C/C=C\2N1C
InChIInChI=1S/C13H17N3/c1-15-13-9-8-10-11(14)6-4-3-5-7-12(10)16(13)2/h3-7H,8-9,14H2,1-2H3/b4-3-,5-3-,6-4-,7-5-,11-6+,11-10+,12-7+,15-13+
InChIKeyDSEUXDQOLFLUCW-XSZDEKHFSA-N
XLogP1.96
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine with MolForge

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Related Compounds

2-(2-Methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine
CID 67554552
5-Methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 91415042
5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
CID 142187236
N-methyl-N-[(1E,4Z)-4-methylcycloocta-1,4,7-trien-1-yl]pentanimidamide
CID 153556068
5-but-3-enyl-2,4-dimethyl-6-methylidene-1H-pyrimidine
CID 155243022
2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-en-1-amine
CID 156819137
N-[(3E)-3-(1-ethenyl-5-methylpiperidin-2-ylidene)but-1-en-2-yl]-N'-methylethanimidamide
CID 164594284
N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide
CID 167288688
(6Z,8Z)-N,1-di(propan-2-yl)-3,4-dihydrocycloocta[b]pyridin-2-imine
CID 173809943
(Z)-4-imino-1-(2-methyl-6-piperidin-1-yl-2H-pyridin-5-ylidene)pent-2-en-1-amine
CID 173814085
(3E,5Z,6E)-3,6-bis[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4,5-di(ethylidene)piperidin-2-imine
CID 173933700
(6Z,8Z)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine
CID 174020640

Frequently Asked Questions

What is the IUPAC name of (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine?
The IUPAC name of (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine (CID 164568249) is (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine.
What is the SMILES notation for (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine?
The canonical SMILES for (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine is C/N=C1\CCC2=C(N)/C=C\C=C/C=C\2N1C.
What is the InChIKey of (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine?
The InChIKey is DSEUXDQOLFLUCW-XSZDEKHFSA-N. The full InChI is InChI=1S/C13H17N3/c1-15-13-9-8-10-11(14)6-4-3-5-7-12(10)16(13)2/h3-7H,8-9,14H2,1-2H3/b4-3-,5-3-,6-4-,7-5-,11-6+,11-10+,12-7+,15-13+.
What are the key properties of (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine?
(4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine has a molecular weight of 215.30 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aE,6Z,8Z,10E)-1-methyl-2-methylimino-3,4-dihydrocycloocta[b]pyridin-5-amine is sourced from PubChem (CID 164568249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).