(Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine

C21H29ClN4 — CID 142497853

IUPAC(Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C(/C=C\C1CC(C)(C)NC(C)(C)C1)c1ccc(C(=C/N)/C=N/[H])cc1Cl
InChIInChI=1S/C21H29ClN4/c1-20(2)10-14(11-21(3,4)26-20)5-8-19(25)17-7-6-15(9-18(17)22)16(12-23)13-24/h5-9,12-14,23,25-26H,10-11,24H2,1-4H3/b8-5-,16-13+,23-12+,25-19-
InChIKeyWVRSNGAYEHRMSH-IKXCRHJHSA-N
MW372.94 g/mol
LogP4.77
Rot. Bonds5

About (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine

(Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine (PubChem CID 142497853) has the molecular formula C21H29ClN4 and a molecular weight of 372.94 g/mol. Its IUPAC name is (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine
PubChem CID142497853
Molecular FormulaC21H29ClN4
Molecular Weight372.94 g/mol
Exact Mass372.21
IUPAC Name(Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C(/C=C\C1CC(C)(C)NC(C)(C)C1)c1ccc(C(=C/N)/C=N/[H])cc1Cl
InChIInChI=1S/C21H29ClN4/c1-20(2)10-14(11-21(3,4)26-20)5-8-19(25)17-7-6-15(9-18(17)22)16(12-23)13-24/h5-9,12-14,23,25-26H,10-11,24H2,1-4H3/b8-5-,16-13+,23-12+,25-19-
InChIKeyWVRSNGAYEHRMSH-IKXCRHJHSA-N
XLogP4.77
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine (CID 142497853) is (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine is [H]/N=C(/C=C\C1CC(C)(C)NC(C)(C)C1)c1ccc(C(=C/N)/C=N/[H])cc1Cl.
What is the InChIKey of (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine?
The InChIKey is WVRSNGAYEHRMSH-IKXCRHJHSA-N. The full InChI is InChI=1S/C21H29ClN4/c1-20(2)10-14(11-21(3,4)26-20)5-8-19(25)17-7-6-15(9-18(17)22)16(12-23)13-24/h5-9,12-14,23,25-26H,10-11,24H2,1-4H3/b8-5-,16-13+,23-12+,25-19-.
What are the key properties of (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine?
(Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine has a molecular weight of 372.94 g/mol, XLogP of 4.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-chloro-4-[(Z)-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enimidoyl]phenyl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 142497853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).