N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide

C14H24N2 — CID 130243164

IUPACN-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide
SMILESC=C/C(CC)=C(C)/C(CC)=N/C=N/C(C)C
InChIInChI=1S/C14H24N2/c1-7-13(8-2)12(6)14(9-3)16-10-15-11(4)5/h7,10-11H,1,8-9H2,2-6H3/b13-12-,15-10+,16-14+
InChIKeyKZUROGHQGFINJM-QTOLXONMSA-N
MW220.36 g/mol
LogP4.19
Rot. Bonds6

About N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide

N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide (PubChem CID 130243164) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide
PubChem CID130243164
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide
SMILESC=C/C(CC)=C(C)/C(CC)=N/C=N/C(C)C
InChIInChI=1S/C14H24N2/c1-7-13(8-2)12(6)14(9-3)16-10-15-11(4)5/h7,10-11H,1,8-9H2,2-6H3/b13-12-,15-10+,16-14+
InChIKeyKZUROGHQGFINJM-QTOLXONMSA-N
XLogP4.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide?
The IUPAC name of N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide (CID 130243164) is N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide.
What is the SMILES notation for N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide?
The canonical SMILES for N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide is C=C/C(CC)=C(C)/C(CC)=N/C=N/C(C)C.
What is the InChIKey of N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide?
The InChIKey is KZUROGHQGFINJM-QTOLXONMSA-N. The full InChI is InChI=1S/C14H24N2/c1-7-13(8-2)12(6)14(9-3)16-10-15-11(4)5/h7,10-11H,1,8-9H2,2-6H3/b13-12-,15-10+,16-14+.
What are the key properties of N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide?
N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide has a molecular weight of 220.36 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-5-ethyl-4-methylhepta-4,6-dien-3-ylidene]-N'-propan-2-ylmethanimidamide is sourced from PubChem (CID 130243164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).