(4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane

C15H29N — CID 143758684

IUPAC(4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane
SMILESCCC.[H]/N=C(C(=C)C)/C(C)=C(\C)C(C)(C)C
InChIInChI=1S/C12H21N.C3H8/c1-8(2)11(13)9(3)10(4)12(5,6)7;1-3-2/h13H,1H2,2-7H3;3H2,1-2H3/b10-9+,13-11+;
InChIKeyBGDCVQAXQHTJMU-XVGILUMNSA-N
MW223.40 g/mol
LogP5.38
Rot. Bonds2

About (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane

(4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane (PubChem CID 143758684) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane.

Molecular Properties

Compound Name(4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane
PubChem CID143758684
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane
SMILESCCC.[H]/N=C(C(=C)C)/C(C)=C(\C)C(C)(C)C
InChIInChI=1S/C12H21N.C3H8/c1-8(2)11(13)9(3)10(4)12(5,6)7;1-3-2/h13H,1H2,2-7H3;3H2,1-2H3/b10-9+,13-11+;
InChIKeyBGDCVQAXQHTJMU-XVGILUMNSA-N
XLogP5.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane?
The IUPAC name of (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane (CID 143758684) is (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane.
What is the SMILES notation for (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane?
The canonical SMILES for (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane is CCC.[H]/N=C(C(=C)C)/C(C)=C(\C)C(C)(C)C.
What is the InChIKey of (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane?
The InChIKey is BGDCVQAXQHTJMU-XVGILUMNSA-N. The full InChI is InChI=1S/C12H21N.C3H8/c1-8(2)11(13)9(3)10(4)12(5,6)7;1-3-2/h13H,1H2,2-7H3;3H2,1-2H3/b10-9+,13-11+;.
What are the key properties of (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane?
(4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane has a molecular weight of 223.40 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,4,5,6,6-pentamethylhepta-1,4-dien-3-imine;propane is sourced from PubChem (CID 143758684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).