3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane

C17H24N2 — CID 142975222

IUPAC3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane
SMILESCCC.[H]/N=C(\N=C)c1ccc(C(=C)/C=C\C)c(C)c1
InChIInChI=1S/C14H16N2.C3H8/c1-5-6-10(2)13-8-7-12(9-11(13)3)14(15)16-4;1-3-2/h5-9,15H,2,4H2,1,3H3;3H2,1-2H3/b6-5-,15-14-;
InChIKeyNTTPSNICVLOPEN-QRQKHHSASA-N
MW256.39 g/mol
LogP5.03
Rot. Bonds3

About 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane

3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane (PubChem CID 142975222) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane.

Molecular Properties

Compound Name3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane
PubChem CID142975222
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane
SMILESCCC.[H]/N=C(\N=C)c1ccc(C(=C)/C=C\C)c(C)c1
InChIInChI=1S/C14H16N2.C3H8/c1-5-6-10(2)13-8-7-12(9-11(13)3)14(15)16-4;1-3-2/h5-9,15H,2,4H2,1,3H3;3H2,1-2H3/b6-5-,15-14-;
InChIKeyNTTPSNICVLOPEN-QRQKHHSASA-N
XLogP5.03
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.03
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane?
The IUPAC name of 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane (CID 142975222) is 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane.
What is the SMILES notation for 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane?
The canonical SMILES for 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane is CCC.[H]/N=C(\N=C)c1ccc(C(=C)/C=C\C)c(C)c1.
What is the InChIKey of 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane?
The InChIKey is NTTPSNICVLOPEN-QRQKHHSASA-N. The full InChI is InChI=1S/C14H16N2.C3H8/c1-5-6-10(2)13-8-7-12(9-11(13)3)14(15)16-4;1-3-2/h5-9,15H,2,4H2,1,3H3;3H2,1-2H3/b6-5-,15-14-;.
What are the key properties of 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane?
3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane has a molecular weight of 256.39 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane is sourced from PubChem (CID 142975222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).