(E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine

C14H25N — CID 130387285

IUPAC(E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine
SMILES[H]/N=C/C=C(\C=C/C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H25N/c1-7-8-12(9-10-15)14(5,6)11-13(2,3)4/h7-10,15H,11H2,1-6H3/b8-7-,12-9+,15-10+
InChIKeyISHJULIBZXGWOM-KSXXOBKYSA-N
MW207.36 g/mol
LogP4.60
Rot. Bonds4

About (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine

(E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine (PubChem CID 130387285) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine.

Molecular Properties

Compound Name(E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine
PubChem CID130387285
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine
SMILES[H]/N=C/C=C(\C=C/C)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H25N/c1-7-8-12(9-10-15)14(5,6)11-13(2,3)4/h7-10,15H,11H2,1-6H3/b8-7-,12-9+,15-10+
InChIKeyISHJULIBZXGWOM-KSXXOBKYSA-N
XLogP4.60
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
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

3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 54391338
[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine
CID 135217583
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 91799586
[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 169452168
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 15279800
(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 60095916
[2-ethyl-3-methyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
CID 88562249
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
[2-ethenyl-3-methyl-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
CID 89090370
(E)-3-tert-butylhex-2-en-1-imine
CID 89518706
(E)-3-[(Z)-2-iodoethenyl]-4,4,6-trimethylhept-2-en-1-imine
CID 89629292
(2Z)-2-(2,2-dimethylpropyl)-5-methylhexa-2,4-dien-1-imine
CID 89697917

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine?
The IUPAC name of (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine (CID 130387285) is (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine.
What is the SMILES notation for (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine?
The canonical SMILES for (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine is [H]/N=C/C=C(\C=C/C)C(C)(C)CC(C)(C)C.
What is the InChIKey of (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine?
The InChIKey is ISHJULIBZXGWOM-KSXXOBKYSA-N. The full InChI is InChI=1S/C14H25N/c1-7-8-12(9-10-15)14(5,6)11-13(2,3)4/h7-10,15H,11H2,1-6H3/b8-7-,12-9+,15-10+.
What are the key properties of (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine?
(E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine is sourced from PubChem (CID 130387285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).