(E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine

C15H25N — CID 146341446

IUPAC(E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine
SMILES[H]/N=C/C(C=C=C)/C=C(\CC)C(C)(C)C(C)C
InChIInChI=1S/C15H25N/c1-7-9-13(11-16)10-14(8-2)15(5,6)12(3)4/h9-13,16H,1,8H2,2-6H3/b14-10+,16-11+
InChIKeyYFOXYVXKLDWHSI-LRHSVYTJSA-N
MW219.37 g/mol
LogP4.61
Rot. Bonds6

About (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine

(E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine (PubChem CID 146341446) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine.

Molecular Properties

Compound Name(E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine
PubChem CID146341446
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine
SMILES[H]/N=C/C(C=C=C)/C=C(\CC)C(C)(C)C(C)C
InChIInChI=1S/C15H25N/c1-7-9-13(11-16)10-14(8-2)15(5,6)12(3)4/h9-13,16H,1,8H2,2-6H3/b14-10+,16-11+
InChIKeyYFOXYVXKLDWHSI-LRHSVYTJSA-N
XLogP4.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine?
The IUPAC name of (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine (CID 146341446) is (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine.
What is the SMILES notation for (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine?
The canonical SMILES for (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine is [H]/N=C/C(C=C=C)/C=C(\CC)C(C)(C)C(C)C.
What is the InChIKey of (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine?
The InChIKey is YFOXYVXKLDWHSI-LRHSVYTJSA-N. The full InChI is InChI=1S/C15H25N/c1-7-9-13(11-16)10-14(8-2)15(5,6)12(3)4/h9-13,16H,1,8H2,2-6H3/b14-10+,16-11+.
What are the key properties of (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine?
(E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine has a molecular weight of 219.37 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-5,5,6-trimethyl-2-propa-1,2-dienylhept-3-en-1-imine is sourced from PubChem (CID 146341446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).