N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine

C10H17N — CID 146337480

IUPACN-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine
SMILESC=N/C(=C/C=C\C)C(C)CC
InChIInChI=1S/C10H17N/c1-5-7-8-10(11-4)9(3)6-2/h5,7-9H,4,6H2,1-3H3/b7-5-,10-8+
InChIKeyBAAGUNIPCKVANL-SUTBWYPISA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds4

About N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine

N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine (PubChem CID 146337480) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine
PubChem CID146337480
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine
SMILESC=N/C(=C/C=C\C)C(C)CC
InChIInChI=1S/C10H17N/c1-5-7-8-10(11-4)9(3)6-2/h5,7-9H,4,6H2,1-3H3/b7-5-,10-8+
InChIKeyBAAGUNIPCKVANL-SUTBWYPISA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine
CID 89198232
N-[1-(6-fluoro-6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298306
N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298650
N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
CID 143321312
N-[(3E)-3-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
CID 144144952
N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine
CID 91121593
N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
CID 118616451
N,N,6-trimethylnona-2,4,8-trien-2-amine
CID 123195262
N-(3-propylhexa-2,4-dien-2-yl)methanimine
CID 123226576
3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine
CID 123326474
N-(8-methyl-6-methylidenenona-2,4,8-trien-3-yl)methanimine
CID 123351664
N-hepta-3,5-dien-3-ylmethanimine
CID 123371851

Frequently Asked Questions

What is the IUPAC name of N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine?
The IUPAC name of N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine (CID 146337480) is N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine.
What is the SMILES notation for N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine?
The canonical SMILES for N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine is C=N/C(=C/C=C\C)C(C)CC.
What is the InChIKey of N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine?
The InChIKey is BAAGUNIPCKVANL-SUTBWYPISA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-8-10(11-4)9(3)6-2/h5,7-9H,4,6H2,1-3H3/b7-5-,10-8+.
What are the key properties of N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine?
N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine is sourced from PubChem (CID 146337480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).