(2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide

C16H28N2 — CID 134404815

IUPAC(2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide
SMILESC=CCC(C=C/C=C/C(=N/C)NCCC)CCC
InChIInChI=1S/C16H28N2/c1-5-10-15(11-6-2)12-8-9-13-16(17-4)18-14-7-3/h5,8-9,12-13,15H,1,6-7,10-11,14H2,2-4H3,(H,17,18)/b12-8?,13-9+
InChIKeyZEYUNYVNDOUNSB-NOQIBXEPSA-N
MW248.41 g/mol
LogP4.12
Rot. Bonds9

About (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide

(2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide (PubChem CID 134404815) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide.

Molecular Properties

Compound Name(2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide
PubChem CID134404815
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide
SMILESC=CCC(C=C/C=C/C(=N/C)NCCC)CCC
InChIInChI=1S/C16H28N2/c1-5-10-15(11-6-2)12-8-9-13-16(17-4)18-14-7-3/h5,8-9,12-13,15H,1,6-7,10-11,14H2,2-4H3,(H,17,18)/b12-8?,13-9+
InChIKeyZEYUNYVNDOUNSB-NOQIBXEPSA-N
XLogP4.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide?
The IUPAC name of (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide (CID 134404815) is (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide.
What is the SMILES notation for (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide?
The canonical SMILES for (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide is C=CCC(C=C/C=C/C(=N/C)NCCC)CCC.
What is the InChIKey of (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide?
The InChIKey is ZEYUNYVNDOUNSB-NOQIBXEPSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-10-15(11-6-2)12-8-9-13-16(17-4)18-14-7-3/h5,8-9,12-13,15H,1,6-7,10-11,14H2,2-4H3,(H,17,18)/b12-8?,13-9+.
What are the key properties of (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide?
(2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide has a molecular weight of 248.41 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-methyl-N,6-dipropylnona-2,4,8-trienimidamide is sourced from PubChem (CID 134404815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).