N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine

C8H13NO — CID 171630642

IUPACN-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine
SMILESC=C/C(OC)=C(/CC)N=C
InChIInChI=1S/C8H13NO/c1-5-7(9-3)8(6-2)10-4/h6H,2-3,5H2,1,4H3/b8-7+
InChIKeyRKAKPJLMCVLSKT-BQYQJAHWSA-N
MW139.20 g/mol
LogP2.14
Rot. Bonds4

About N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine

N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine (PubChem CID 171630642) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine
PubChem CID171630642
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine
SMILESC=C/C(OC)=C(/CC)N=C
InChIInChI=1S/C8H13NO/c1-5-7(9-3)8(6-2)10-4/h6H,2-3,5H2,1,4H3/b8-7+
InChIKeyRKAKPJLMCVLSKT-BQYQJAHWSA-N
XLogP2.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(3E,5Z)-4-(difluoromethoxy)hepta-3,5-dien-3-yl]methanimine
CID 176552719
4-Ethylidene-5-propylidene-1,3-oxazole
CID 90877108
N-(4-methoxyhexa-1,3,5-trien-2-yl)methanimine
CID 123500238
(4E,5E)-5-prop-2-enylidene-4-propylidene-1,3-oxazole
CID 142875414
N-[(2E)-3-methoxypenta-2,4-dien-2-yl]methanimine
CID 143010518
ethane;N-[(2E)-3-methoxypenta-2,4-dien-2-yl]methanimine
CID 143976519
ethane;N-(5-ethenyl-2,3-dihydrofuran-4-yl)methanimine
CID 144168432
N-(5-ethenyl-2,3-dihydrofuran-4-yl)methanimine
CID 144168433
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole
CID 145224833
N-[(2E)-3-propan-2-yloxypenta-2,4-dien-2-yl]methanimine
CID 145225984
N-[(3E,5Z)-4-methoxy-2-methylhepta-3,5-dien-3-yl]methanimine
CID 146604754
N-[(2E,4Z)-3-methoxyhexa-2,4-dien-2-yl]methanimine
CID 147440461

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine (CID 171630642) is N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine is C=C/C(OC)=C(/CC)N=C.
What is the InChIKey of N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine?
The InChIKey is RKAKPJLMCVLSKT-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-7(9-3)8(6-2)10-4/h6H,2-3,5H2,1,4H3/b8-7+.
What are the key properties of N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine?
N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine has a molecular weight of 139.20 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4-methoxyhexa-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 171630642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).