(4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane

C17H33N — CID 143586114

IUPAC(4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane
SMILESC=C(C)/C=C\C(=N\C=C(C)C)C(C)C.CC.CC
InChIInChI=1S/C13H21N.2C2H6/c1-10(2)7-8-13(12(5)6)14-9-11(3)4;2*1-2/h7-9,12H,1H2,2-6H3;2*1-2H3/b8-7-,14-13-;;
InChIKeyXZQZKOVLUGLMQO-DWVLHCSLSA-N
MW251.46 g/mol
LogP6.19
Rot. Bonds4

About (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane

(4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane (PubChem CID 143586114) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane.

Molecular Properties

Compound Name(4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane
PubChem CID143586114
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane
SMILESC=C(C)/C=C\C(=N\C=C(C)C)C(C)C.CC.CC
InChIInChI=1S/C13H21N.2C2H6/c1-10(2)7-8-13(12(5)6)14-9-11(3)4;2*1-2/h7-9,12H,1H2,2-6H3;2*1-2H3/b8-7-,14-13-;;
InChIKeyXZQZKOVLUGLMQO-DWVLHCSLSA-N
XLogP6.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane?
The IUPAC name of (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane (CID 143586114) is (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane.
What is the SMILES notation for (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane?
The canonical SMILES for (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane is C=C(C)/C=C\C(=N\C=C(C)C)C(C)C.CC.CC.
What is the InChIKey of (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane?
The InChIKey is XZQZKOVLUGLMQO-DWVLHCSLSA-N. The full InChI is InChI=1S/C13H21N.2C2H6/c1-10(2)7-8-13(12(5)6)14-9-11(3)4;2*1-2/h7-9,12H,1H2,2-6H3;2*1-2H3/b8-7-,14-13-;;.
What are the key properties of (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane?
(4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane has a molecular weight of 251.46 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,6-dimethyl-N-(2-methylprop-1-enyl)hepta-4,6-dien-3-imine;ethane is sourced from PubChem (CID 143586114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).