4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine

C17H26N4 — CID 134172576

IUPAC4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine
SMILESC=N/C(=C\N=C1\C=CC(C)=CC1)N1CCNC(C(C)C)C1
InChIInChI=1S/C17H26N4/c1-13(2)16-12-21(10-9-19-16)17(18-4)11-20-15-7-5-14(3)6-8-15/h5-7,11,13,16,19H,4,8-10,12H2,1-3H3/b17-11+,20-15-
InChIKeyBGFBNVOJFUNPOM-PDJZJWKYSA-N
MW286.42 g/mol
LogP2.76
Rot. Bonds4

About 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine

4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine (PubChem CID 134172576) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine
PubChem CID134172576
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine
SMILESC=N/C(=C\N=C1\C=CC(C)=CC1)N1CCNC(C(C)C)C1
InChIInChI=1S/C17H26N4/c1-13(2)16-12-21(10-9-19-16)17(18-4)11-20-15-7-5-14(3)6-8-15/h5-7,11,13,16,19H,4,8-10,12H2,1-3H3/b17-11+,20-15-
InChIKeyBGFBNVOJFUNPOM-PDJZJWKYSA-N
XLogP2.76
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
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 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine (CID 134172576) is 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine is C=N/C(=C\N=C1\C=CC(C)=CC1)N1CCNC(C(C)C)C1.
What is the InChIKey of 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is BGFBNVOJFUNPOM-PDJZJWKYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)16-12-21(10-9-19-16)17(18-4)11-20-15-7-5-14(3)6-8-15/h5-7,11,13,16,19H,4,8-10,12H2,1-3H3/b17-11+,20-15-.
What are the key properties of 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine?
4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 286.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-2-(methylideneamino)-2-(3-propan-2-ylpiperazin-1-yl)ethenyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 134172576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).