N,3,4-trimethyl-6-methylideneoct-3-en-2-imine

C12H21N — CID 123407828

IUPACN,3,4-trimethyl-6-methylideneoct-3-en-2-imine
SMILESC=C(CC)CC(C)=C(C)/C(C)=N/C
InChIInChI=1S/C12H21N/c1-7-9(2)8-10(3)11(4)12(5)13-6/h2,7-8H2,1,3-6H3/b11-10?,13-12+
InChIKeyKPVDHJZVZZGBDT-VYPADJPSSA-N
MW179.31 g/mol
LogP3.77
Rot. Bonds4

About N,3,4-trimethyl-6-methylideneoct-3-en-2-imine

N,3,4-trimethyl-6-methylideneoct-3-en-2-imine (PubChem CID 123407828) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,3,4-trimethyl-6-methylideneoct-3-en-2-imine.

Molecular Properties

Compound NameN,3,4-trimethyl-6-methylideneoct-3-en-2-imine
PubChem CID123407828
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,3,4-trimethyl-6-methylideneoct-3-en-2-imine
SMILESC=C(CC)CC(C)=C(C)/C(C)=N/C
InChIInChI=1S/C12H21N/c1-7-9(2)8-10(3)11(4)12(5)13-6/h2,7-8H2,1,3-6H3/b11-10?,13-12+
InChIKeyKPVDHJZVZZGBDT-VYPADJPSSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine
CID 166122432
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
CID 178040100
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
(E)-N-methyl-5-(trifluoromethyl)oct-5-en-4-imine
CID 144144882
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502
2-fluoro-N,5-dimethylhex-4-en-3-imine
CID 172586095
(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
CID 178040101

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-6-methylideneoct-3-en-2-imine?
The IUPAC name of N,3,4-trimethyl-6-methylideneoct-3-en-2-imine (CID 123407828) is N,3,4-trimethyl-6-methylideneoct-3-en-2-imine.
What is the SMILES notation for N,3,4-trimethyl-6-methylideneoct-3-en-2-imine?
The canonical SMILES for N,3,4-trimethyl-6-methylideneoct-3-en-2-imine is C=C(CC)CC(C)=C(C)/C(C)=N/C.
What is the InChIKey of N,3,4-trimethyl-6-methylideneoct-3-en-2-imine?
The InChIKey is KPVDHJZVZZGBDT-VYPADJPSSA-N. The full InChI is InChI=1S/C12H21N/c1-7-9(2)8-10(3)11(4)12(5)13-6/h2,7-8H2,1,3-6H3/b11-10?,13-12+.
What are the key properties of N,3,4-trimethyl-6-methylideneoct-3-en-2-imine?
N,3,4-trimethyl-6-methylideneoct-3-en-2-imine has a molecular weight of 179.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-6-methylideneoct-3-en-2-imine is sourced from PubChem (CID 123407828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).