N,4,7-trimethyl-3-methylideneoct-4-en-2-imine

C12H21N — CID 123383487

IUPACN,4,7-trimethyl-3-methylideneoct-4-en-2-imine
SMILESC=C(C(C)=CCC(C)C)/C(C)=N/C
InChIInChI=1S/C12H21N/c1-9(2)7-8-10(3)11(4)12(5)13-6/h8-9H,4,7H2,1-3,5-6H3/b10-8?,13-12+
InChIKeyNFLGQFOVKAYQLJ-VMJKLYIWSA-N
MW179.31 g/mol
LogP3.63
Rot. Bonds4

About N,4,7-trimethyl-3-methylideneoct-4-en-2-imine

N,4,7-trimethyl-3-methylideneoct-4-en-2-imine (PubChem CID 123383487) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,4,7-trimethyl-3-methylideneoct-4-en-2-imine.

Molecular Properties

Compound NameN,4,7-trimethyl-3-methylideneoct-4-en-2-imine
PubChem CID123383487
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,4,7-trimethyl-3-methylideneoct-4-en-2-imine
SMILESC=C(C(C)=CCC(C)C)/C(C)=N/C
InChIInChI=1S/C12H21N/c1-9(2)7-8-10(3)11(4)12(5)13-6/h8-9H,4,7H2,1-3,5-6H3/b10-8?,13-12+
InChIKeyNFLGQFOVKAYQLJ-VMJKLYIWSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.63
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

(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 156851943
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 166896627
(4E,6Z,8Z)-8-fluoro-4,10-dimethyl-5-propan-2-yl-N-propylundeca-4,6,8-trien-2-imine
CID 169687451
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 170077929
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502
(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 169104905
(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine
CID 170733996
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
CID 177041111
(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine
CID 177146356

Frequently Asked Questions

What is the IUPAC name of N,4,7-trimethyl-3-methylideneoct-4-en-2-imine?
The IUPAC name of N,4,7-trimethyl-3-methylideneoct-4-en-2-imine (CID 123383487) is N,4,7-trimethyl-3-methylideneoct-4-en-2-imine.
What is the SMILES notation for N,4,7-trimethyl-3-methylideneoct-4-en-2-imine?
The canonical SMILES for N,4,7-trimethyl-3-methylideneoct-4-en-2-imine is C=C(C(C)=CCC(C)C)/C(C)=N/C.
What is the InChIKey of N,4,7-trimethyl-3-methylideneoct-4-en-2-imine?
The InChIKey is NFLGQFOVKAYQLJ-VMJKLYIWSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)7-8-10(3)11(4)12(5)13-6/h8-9H,4,7H2,1-3,5-6H3/b10-8?,13-12+.
What are the key properties of N,4,7-trimethyl-3-methylideneoct-4-en-2-imine?
N,4,7-trimethyl-3-methylideneoct-4-en-2-imine has a molecular weight of 179.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,7-trimethyl-3-methylideneoct-4-en-2-imine is sourced from PubChem (CID 123383487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).