N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine

C12H20N2O — CID 123909994

IUPACN-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine
SMILES[H]/N=C1CCCC=C/C=C\1CNCCOC
InChIInChI=1S/C12H20N2O/c1-15-9-8-14-10-11-6-4-2-3-5-7-12(11)13/h2,4,6,13-14H,3,5,7-10H2,1H3/b4-2?,11-6-,13-12+
InChIKeyGFBUOLANTHEPLG-QWWINCLZSA-N
MW208.31 g/mol
LogP1.91
Rot. Bonds5

About N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine

N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine (PubChem CID 123909994) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine
PubChem CID123909994
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine
SMILES[H]/N=C1CCCC=C/C=C\1CNCCOC
InChIInChI=1S/C12H20N2O/c1-15-9-8-14-10-11-6-4-2-3-5-7-12(11)13/h2,4,6,13-14H,3,5,7-10H2,1H3/b4-2?,11-6-,13-12+
InChIKeyGFBUOLANTHEPLG-QWWINCLZSA-N
XLogP1.91
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(2-methylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123153923
(2Z)-2-[(3,3-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123165362
(2Z)-2-(morpholin-4-ylmethyl)cycloocta-2,4-dien-1-imine
CID 123288093
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxy-N-methylethanamine
CID 123358351
(2Z)-2-[(2,6-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123463010
(2Z)-2-[(3-methoxypyrrolidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123628257
(2Z)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123897761

Frequently Asked Questions

What is the IUPAC name of N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine (CID 123909994) is N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine is [H]/N=C1CCCC=C/C=C\1CNCCOC.
What is the InChIKey of N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine?
The InChIKey is GFBUOLANTHEPLG-QWWINCLZSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-9-8-14-10-11-6-4-2-3-5-7-12(11)13/h2,4,6,13-14H,3,5,7-10H2,1H3/b4-2?,11-6-,13-12+.
What are the key properties of N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine?
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 123909994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).