(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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Related Compounds

(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
CID 155204692
tributyl-(6-fluoro-3aH-indol-3-yl)stannane
CID 160938501
(4E,6Z,8Z)-8-fluoro-4,10-dimethyl-5-propan-2-yl-N-propylundeca-4,6,8-trien-2-imine
CID 169687451
(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine
CID 170081889
ethane;(4E,6Z)-6-ethyl-3,9-dimethyl-8-methylidene-4-(trifluoromethyl)undeca-4,6-diene;N-[(Z)-prop-1-enyl]pentan-2-imine
CID 172242535
N-[(1E,3E)-2-fluorohexa-1,3-dienyl]-3-methylbutan-2-imine
CID 174202912
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
propane;2-propan-2-yl-4H-pyridin-4-ide;vanadium(2+)
CID 58748015
6-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 59778651
(Z)-2-methyl-N-[(E)-prop-1-enyl]hex-4-en-3-imine
CID 88538244
6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 89028721

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).