6-methyl-5-methylideneoctan-2-imine

C10H19N — CID 123962275

IUPAC6-methyl-5-methylideneoctan-2-imine
SMILES[H]/N=C(\C)CCC(=C)C(C)CC
InChIInChI=1S/C10H19N/c1-5-8(2)9(3)6-7-10(4)11/h8,11H,3,5-7H2,1-2,4H3/b11-10+
InChIKeyJTIVXICXDQCOPJ-ZHACJKMWSA-N
MW153.27 g/mol
LogP3.41
Rot. Bonds5

About 6-methyl-5-methylideneoctan-2-imine

6-methyl-5-methylideneoctan-2-imine (PubChem CID 123962275) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 6-methyl-5-methylideneoctan-2-imine.

Molecular Properties

Compound Name6-methyl-5-methylideneoctan-2-imine
PubChem CID123962275
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name6-methyl-5-methylideneoctan-2-imine
SMILES[H]/N=C(\C)CCC(=C)C(C)CC
InChIInChI=1S/C10H19N/c1-5-8(2)9(3)6-7-10(4)11/h8,11H,3,5-7H2,1-2,4H3/b11-10+
InChIKeyJTIVXICXDQCOPJ-ZHACJKMWSA-N
XLogP3.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.41
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

5,9-dimethylundecan-2-imine
CID 163570105
3-imino-4-methylhexan-2-one
CID 174544860
3,8-dimethyl-4-methylidenedecane
CID 177054037
8-methylnon-8-en-2-imine
CID 163908836
10-methyl-9-methylidenedodecan-3-one
CID 123893300
3-iminobutan-1-ol
CID 54468047
2,3-dimethylpent-1-ene;ethane
CID 143286891
6-methyl-5-methylideneoctanal
CID 172617044
3-imino-N-propan-2-ylbutan-1-amine
CID 176923530
5-methylhept-5-en-2-imine
CID 123766869
3,6-dimethyl-4-methylideneoctane
CID 91141716
8-ethyl-3-methyl-4-methylideneundecane
CID 123341764

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylideneoctan-2-imine?
The IUPAC name of 6-methyl-5-methylideneoctan-2-imine (CID 123962275) is 6-methyl-5-methylideneoctan-2-imine.
What is the SMILES notation for 6-methyl-5-methylideneoctan-2-imine?
The canonical SMILES for 6-methyl-5-methylideneoctan-2-imine is [H]/N=C(\C)CCC(=C)C(C)CC.
What is the InChIKey of 6-methyl-5-methylideneoctan-2-imine?
The InChIKey is JTIVXICXDQCOPJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N/c1-5-8(2)9(3)6-7-10(4)11/h8,11H,3,5-7H2,1-2,4H3/b11-10+.
What are the key properties of 6-methyl-5-methylideneoctan-2-imine?
6-methyl-5-methylideneoctan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylideneoctan-2-imine is sourced from PubChem (CID 123962275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).