N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide

C16H27N3 — CID 134387948

IUPACN'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide
SMILESC/C=C(CC1CCCC(/C=C(\C)NC)=C1C)\N=C\N
InChIInChI=1S/C16H27N3/c1-5-16(19-11-17)10-15-8-6-7-14(13(15)3)9-12(2)18-4/h5,9,11,15,18H,6-8,10H2,1-4H3,(H2,17,19)/b12-9+,16-5-
InChIKeyYHVIXILPICDELZ-GUDXQGGPSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds5

About N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide

N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide (PubChem CID 134387948) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide
PubChem CID134387948
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide
SMILESC/C=C(CC1CCCC(/C=C(\C)NC)=C1C)\N=C\N
InChIInChI=1S/C16H27N3/c1-5-16(19-11-17)10-15-8-6-7-14(13(15)3)9-12(2)18-4/h5,9,11,15,18H,6-8,10H2,1-4H3,(H2,17,19)/b12-9+,16-5-
InChIKeyYHVIXILPICDELZ-GUDXQGGPSA-N
XLogP3.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide (CID 134387948) is N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide is C/C=C(CC1CCCC(/C=C(\C)NC)=C1C)\N=C\N.
What is the InChIKey of N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide?
The InChIKey is YHVIXILPICDELZ-GUDXQGGPSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-16(19-11-17)10-15-8-6-7-14(13(15)3)9-12(2)18-4/h5,9,11,15,18H,6-8,10H2,1-4H3,(H2,17,19)/b12-9+,16-5-.
What are the key properties of N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide?
N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide has a molecular weight of 261.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[2-methyl-3-[(E)-2-(methylamino)prop-1-enyl]cyclohex-2-en-1-yl]but-2-en-2-yl]methanimidamide is sourced from PubChem (CID 134387948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).