N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide

C20H23N3 — CID 146588289

IUPACN'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide
SMILESC=C/C(=C\C)c1ccc(N/C(=N/CC)C2=C(N=C)C=CC2)cc1
InChIInChI=1S/C20H23N3/c1-5-15(6-2)16-11-13-17(14-12-16)23-20(22-7-3)18-9-8-10-19(18)21-4/h5-6,8,10-14H,1,4,7,9H2,2-3H3,(H,22,23)/b15-6+
InChIKeyMOKCRTHMQWXBDV-GIDUJCDVSA-N
MW305.43 g/mol
LogP5.02
Rot. Bonds6

About N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide

N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide (PubChem CID 146588289) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide
PubChem CID146588289
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide
SMILESC=C/C(=C\C)c1ccc(N/C(=N/CC)C2=C(N=C)C=CC2)cc1
InChIInChI=1S/C20H23N3/c1-5-15(6-2)16-11-13-17(14-12-16)23-20(22-7-3)18-9-8-10-19(18)21-4/h5-6,8,10-14H,1,4,7,9H2,2-3H3,(H,22,23)/b15-6+
InChIKeyMOKCRTHMQWXBDV-GIDUJCDVSA-N
XLogP5.02
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide?
The IUPAC name of N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide (CID 146588289) is N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide.
What is the SMILES notation for N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide?
The canonical SMILES for N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide is C=C/C(=C\C)c1ccc(N/C(=N/CC)C2=C(N=C)C=CC2)cc1.
What is the InChIKey of N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide?
The InChIKey is MOKCRTHMQWXBDV-GIDUJCDVSA-N. The full InChI is InChI=1S/C20H23N3/c1-5-15(6-2)16-11-13-17(14-12-16)23-20(22-7-3)18-9-8-10-19(18)21-4/h5-6,8,10-14H,1,4,7,9H2,2-3H3,(H,22,23)/b15-6+.
What are the key properties of N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide?
N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide has a molecular weight of 305.43 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-(methylideneamino)-N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]cyclopenta-1,3-diene-1-carboximidamide is sourced from PubChem (CID 146588289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).