4-ethyl-7-methyloct-7-en-2-imine

C11H21N — CID 123805037

IUPAC4-ethyl-7-methyloct-7-en-2-imine
SMILES[H]/N=C(\C)CC(CC)CCC(=C)C
InChIInChI=1S/C11H21N/c1-5-11(8-10(4)12)7-6-9(2)3/h11-12H,2,5-8H2,1,3-4H3/b12-10+
InChIKeyMWTANACHGKTAHD-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.80
Rot. Bonds6

About 4-ethyl-7-methyloct-7-en-2-imine

4-ethyl-7-methyloct-7-en-2-imine (PubChem CID 123805037) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-ethyl-7-methyloct-7-en-2-imine.

Molecular Properties

Compound Name4-ethyl-7-methyloct-7-en-2-imine
PubChem CID123805037
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-ethyl-7-methyloct-7-en-2-imine
SMILES[H]/N=C(\C)CC(CC)CCC(=C)C
InChIInChI=1S/C11H21N/c1-5-11(8-10(4)12)7-6-9(2)3/h11-12H,2,5-8H2,1,3-4H3/b12-10+
InChIKeyMWTANACHGKTAHD-ZRDIBKRKSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
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

(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
CID 139423709
(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine
CID 155158155
10-Fluoro-2-methyl-4-methylideneundecane-3,6-diimine
CID 155158434
(3R,5S)-5-fluoro-6-(fluoromethyl)-3,7-dimethyloct-7-en-4-imine
CID 173772004
3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
(Z)-4,5-dimethylhept-5-en-2-imine
CID 89961034
3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
2,5-Dimethylhept-1-en-3-imine
CID 91222633
1-[2-(3-Ethylheptyl)cycloprop-2-en-1-yl]propan-2-imine
CID 118396529
7-Methyloct-7-en-2-imine
CID 123136673

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyloct-7-en-2-imine?
The IUPAC name of 4-ethyl-7-methyloct-7-en-2-imine (CID 123805037) is 4-ethyl-7-methyloct-7-en-2-imine.
What is the SMILES notation for 4-ethyl-7-methyloct-7-en-2-imine?
The canonical SMILES for 4-ethyl-7-methyloct-7-en-2-imine is [H]/N=C(\C)CC(CC)CCC(=C)C.
What is the InChIKey of 4-ethyl-7-methyloct-7-en-2-imine?
The InChIKey is MWTANACHGKTAHD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-5-11(8-10(4)12)7-6-9(2)3/h11-12H,2,5-8H2,1,3-4H3/b12-10+.
What are the key properties of 4-ethyl-7-methyloct-7-en-2-imine?
4-ethyl-7-methyloct-7-en-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyloct-7-en-2-imine is sourced from PubChem (CID 123805037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).