(Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide

C20H28N6 — CID 142497878

IUPAC(Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N(C)C1CCNCC1)c1ccc(C(=C/N)/C=N/[H])cc1C
InChIInChI=1S/C20H28N6/c1-14-11-15(16(12-21)13-22)3-4-18(14)19(23)5-6-20(24)26(2)17-7-9-25-10-8-17/h3-6,11-13,17,21,23-25H,7-10,22H2,1-2H3/b6-5-,16-13+,21-12+,23-19-,24-20-
InChIKeyAARORJUKHQIGHE-KYRIIZIGSA-N
MW352.49 g/mol
LogP2.53
Rot. Bonds6

About (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide

(Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide (PubChem CID 142497878) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide
PubChem CID142497878
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name(Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N(C)C1CCNCC1)c1ccc(C(=C/N)/C=N/[H])cc1C
InChIInChI=1S/C20H28N6/c1-14-11-15(16(12-21)13-22)3-4-18(14)19(23)5-6-20(24)26(2)17-7-9-25-10-8-17/h3-6,11-13,17,21,23-25H,7-10,22H2,1-2H3/b6-5-,16-13+,21-12+,23-19-,24-20-
InChIKeyAARORJUKHQIGHE-KYRIIZIGSA-N
XLogP2.53
TPSA112.84 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide?
The IUPAC name of (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide (CID 142497878) is (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide.
What is the SMILES notation for (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide?
The canonical SMILES for (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide is [H]/N=C(/C=C\C(=N\[H])N(C)C1CCNCC1)c1ccc(C(=C/N)/C=N/[H])cc1C.
What is the InChIKey of (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide?
The InChIKey is AARORJUKHQIGHE-KYRIIZIGSA-N. The full InChI is InChI=1S/C20H28N6/c1-14-11-15(16(12-21)13-22)3-4-18(14)19(23)5-6-20(24)26(2)17-7-9-25-10-8-17/h3-6,11-13,17,21,23-25H,7-10,22H2,1-2H3/b6-5-,16-13+,21-12+,23-19-,24-20-.
What are the key properties of (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide?
(Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide has a molecular weight of 352.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-methylphenyl]-4-imino-N-methyl-N-piperidin-4-ylbut-2-enimidamide is sourced from PubChem (CID 142497878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).