(Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide

C20H33N3 — CID 167252677

IUPAC(Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide
SMILESC=C/N=C(N)/C=C\N(C)C(C)C1C=C1CCC(=C)CCCCC
InChIInChI=1S/C20H33N3/c1-6-8-9-10-16(3)11-12-18-15-19(18)17(4)23(5)14-13-20(21)22-7-2/h7,13-15,17,19H,2-3,6,8-12H2,1,4-5H3,(H2,21,22)/b14-13-
InChIKeyUAOIPZDGOMELEG-YPKPFQOOSA-N
MW315.51 g/mol
LogP4.79
Rot. Bonds12

About (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide

(Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide (PubChem CID 167252677) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide
PubChem CID167252677
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name(Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide
SMILESC=C/N=C(N)/C=C\N(C)C(C)C1C=C1CCC(=C)CCCCC
InChIInChI=1S/C20H33N3/c1-6-8-9-10-16(3)11-12-18-15-19(18)17(4)23(5)14-13-20(21)22-7-2/h7,13-15,17,19H,2-3,6,8-12H2,1,4-5H3,(H2,21,22)/b14-13-
InChIKeyUAOIPZDGOMELEG-YPKPFQOOSA-N
XLogP4.79
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide?
The IUPAC name of (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide (CID 167252677) is (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide.
What is the SMILES notation for (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide?
The canonical SMILES for (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide is C=C/N=C(N)/C=C\N(C)C(C)C1C=C1CCC(=C)CCCCC.
What is the InChIKey of (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide?
The InChIKey is UAOIPZDGOMELEG-YPKPFQOOSA-N. The full InChI is InChI=1S/C20H33N3/c1-6-8-9-10-16(3)11-12-18-15-19(18)17(4)23(5)14-13-20(21)22-7-2/h7,13-15,17,19H,2-3,6,8-12H2,1,4-5H3,(H2,21,22)/b14-13-.
What are the key properties of (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide?
(Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide has a molecular weight of 315.51 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide is sourced from PubChem (CID 167252677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).