N,2,4-trimethyloct-1-en-3-imine

C11H21N — CID 123513691

IUPACN,2,4-trimethyloct-1-en-3-imine
SMILESC=C(C)/C(=N\C)C(C)CCCC
InChIInChI=1S/C11H21N/c1-6-7-8-10(4)11(12-5)9(2)3/h10H,2,6-8H2,1,3-5H3/b12-11+
InChIKeyLYTYUHJLWVEGAK-VAWYXSNFSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds5

About N,2,4-trimethyloct-1-en-3-imine

N,2,4-trimethyloct-1-en-3-imine (PubChem CID 123513691) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,2,4-trimethyloct-1-en-3-imine.

Molecular Properties

Compound NameN,2,4-trimethyloct-1-en-3-imine
PubChem CID123513691
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,2,4-trimethyloct-1-en-3-imine
SMILESC=C(C)/C(=N\C)C(C)CCCC
InChIInChI=1S/C11H21N/c1-6-7-8-10(4)11(12-5)9(2)3/h10H,2,6-8H2,1,3-5H3/b12-11+
InChIKeyLYTYUHJLWVEGAK-VAWYXSNFSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-methyl-3-methylideneoctane
CID 10820618
2-methyl-N-propan-2-ylhept-1-en-3-amine
CID 79411658
(NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine
CID 142560297
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
N,2-dimethyloct-1-en-3-amine;ethane
CID 143152284
3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine
CID 142474537
(3R)-3-methyl-2-[(2-methylpropan-2-yl)oxy]hept-1-ene
CID 118569638
4-methyl-3-methylidenedecane
CID 123290966
N,3-dimethylhexan-2-imine
CID 123371156
bis(2-methylprop-2-enoic acid);pentane-1,1-diol
CID 87132551
3-methyl-N-prop-1-en-2-ylheptan-2-amine
CID 174298907
2-methyl-N-propan-2-ylhexanamide
CID 19752015

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyloct-1-en-3-imine?
The IUPAC name of N,2,4-trimethyloct-1-en-3-imine (CID 123513691) is N,2,4-trimethyloct-1-en-3-imine.
What is the SMILES notation for N,2,4-trimethyloct-1-en-3-imine?
The canonical SMILES for N,2,4-trimethyloct-1-en-3-imine is C=C(C)/C(=N\C)C(C)CCCC.
What is the InChIKey of N,2,4-trimethyloct-1-en-3-imine?
The InChIKey is LYTYUHJLWVEGAK-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-8-10(4)11(12-5)9(2)3/h10H,2,6-8H2,1,3-5H3/b12-11+.
What are the key properties of N,2,4-trimethyloct-1-en-3-imine?
N,2,4-trimethyloct-1-en-3-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyloct-1-en-3-imine is sourced from PubChem (CID 123513691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).