(E)-6-methyl-4-propyloct-6-en-1-imine

C12H23N — CID 166765062

IUPAC(E)-6-methyl-4-propyloct-6-en-1-imine
SMILES[H]/N=C/CCC(CCC)C/C(C)=C/C
InChIInChI=1S/C12H23N/c1-4-7-12(8-6-9-13)10-11(3)5-2/h5,9,12-13H,4,6-8,10H2,1-3H3/b11-5+,13-9+
InChIKeyBQVYKILGVSMDTI-XFDBBVLASA-N
MW181.32 g/mol
LogP4.19
Rot. Bonds7

About (E)-6-methyl-4-propyloct-6-en-1-imine

(E)-6-methyl-4-propyloct-6-en-1-imine (PubChem CID 166765062) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (E)-6-methyl-4-propyloct-6-en-1-imine.

Molecular Properties

Compound Name(E)-6-methyl-4-propyloct-6-en-1-imine
PubChem CID166765062
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(E)-6-methyl-4-propyloct-6-en-1-imine
SMILES[H]/N=C/CCC(CCC)C/C(C)=C/C
InChIInChI=1S/C12H23N/c1-4-7-12(8-6-9-13)10-11(3)5-2/h5,9,12-13H,4,6-8,10H2,1-3H3/b11-5+,13-9+
InChIKeyBQVYKILGVSMDTI-XFDBBVLASA-N
XLogP4.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.19
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

3-(3-iminopropyl)pentane-2,4-dione
CID 88727251
6-methylnon-5-en-1-imine
CID 90789693
4-methylheptane-1,7-diimine
CID 139852006
5-ethylheptan-1-imine
CID 123407582
(3Z,5E)-3,6-dimethyl-8-propylundeca-1,3,5-triene
CID 169188657
4-buta-1,3-dien-2-ylheptane-1,6-diimine
CID 140575850
azane;hexan-1-imine
CID 158895938
6-methylhepta-4,6-dien-1-imine
CID 123768146
hexan-1-imine;platinum;dihydrate
CID 175690790
3,5-dimethyltrideca-2,8-diene
CID 123850076
2-methanimidoyl-N-methylpentan-1-amine
CID 90738575
3-propylsulfanylpropan-1-imine
CID 123742984

Frequently Asked Questions

What is the IUPAC name of (E)-6-methyl-4-propyloct-6-en-1-imine?
The IUPAC name of (E)-6-methyl-4-propyloct-6-en-1-imine (CID 166765062) is (E)-6-methyl-4-propyloct-6-en-1-imine.
What is the SMILES notation for (E)-6-methyl-4-propyloct-6-en-1-imine?
The canonical SMILES for (E)-6-methyl-4-propyloct-6-en-1-imine is [H]/N=C/CCC(CCC)C/C(C)=C/C.
What is the InChIKey of (E)-6-methyl-4-propyloct-6-en-1-imine?
The InChIKey is BQVYKILGVSMDTI-XFDBBVLASA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-12(8-6-9-13)10-11(3)5-2/h5,9,12-13H,4,6-8,10H2,1-3H3/b11-5+,13-9+.
What are the key properties of (E)-6-methyl-4-propyloct-6-en-1-imine?
(E)-6-methyl-4-propyloct-6-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-4-propyloct-6-en-1-imine is sourced from PubChem (CID 166765062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).