(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine

C11H19N — CID 134604866

IUPAC(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine
SMILESC=C(C)/N=C(C)/C=C(\C)C(C)C
InChIInChI=1S/C11H19N/c1-8(2)10(5)7-11(6)12-9(3)4/h7-8H,3H2,1-2,4-6H3/b10-7+,12-11+
InChIKeyOYPDBMNQFHXEBJ-OFJXCKHESA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds3

About (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine

(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine (PubChem CID 134604866) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine.

Molecular Properties

Compound Name(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine
PubChem CID134604866
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine
SMILESC=C(C)/N=C(C)/C=C(\C)C(C)C
InChIInChI=1S/C11H19N/c1-8(2)10(5)7-11(6)12-9(3)4/h7-8H,3H2,1-2,4-6H3/b10-7+,12-11+
InChIKeyOYPDBMNQFHXEBJ-OFJXCKHESA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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

(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
2-prop-1-en-2-yliminopropanal
CID 144727018
(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene
CID 144514446
(3Z,5E)-3,4,6,7-tetramethylocta-1,3,5-triene
CID 178040124
(E)-3,4-dimethyl-1-phenyl-N-(1-phenylethenyl)pent-2-en-1-imine
CID 142539028
ethane;(Z)-N-(3-methylbut-1-en-2-ylsulfanyl)ethanimine
CID 171660873
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
CID 167471626
(Z)-4-[(Z)-4-methylpent-2-en-3-yl]iminopent-2-en-2-amine
CID 130331601
(2E,4E)-N,2-bis(ethenyl)-3,5,6-trimethylhepta-2,4-dien-1-imine
CID 139474050

Frequently Asked Questions

What is the IUPAC name of (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine?
The IUPAC name of (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine (CID 134604866) is (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine.
What is the SMILES notation for (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine?
The canonical SMILES for (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine is C=C(C)/N=C(C)/C=C(\C)C(C)C.
What is the InChIKey of (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine?
The InChIKey is OYPDBMNQFHXEBJ-OFJXCKHESA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10(5)7-11(6)12-9(3)4/h7-8H,3H2,1-2,4-6H3/b10-7+,12-11+.
What are the key properties of (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine?
(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine is sourced from PubChem (CID 134604866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).