N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide

C17H30N2 — CID 126493232

IUPACN-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide
SMILESC=CC/C(=N\C(=C)C)N(C(CC)CC)C(C)C(=C)C
InChIInChI=1S/C17H30N2/c1-9-12-17(18-14(6)7)19(15(8)13(4)5)16(10-2)11-3/h9,15-16H,1,4,6,10-12H2,2-3,5,7-8H3/b18-17+
InChIKeyGGLKDZCERRJUQL-ISLYRVAYSA-N
MW262.44 g/mol
LogP4.95
Rot. Bonds8

About N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide

N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide (PubChem CID 126493232) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide.

Molecular Properties

Compound NameN-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide
PubChem CID126493232
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide
SMILESC=CC/C(=N\C(=C)C)N(C(CC)CC)C(C)C(=C)C
InChIInChI=1S/C17H30N2/c1-9-12-17(18-14(6)7)19(15(8)13(4)5)16(10-2)11-3/h9,15-16H,1,4,6,10-12H2,2-3,5,7-8H3/b18-17+
InChIKeyGGLKDZCERRJUQL-ISLYRVAYSA-N
XLogP4.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide?
The IUPAC name of N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide (CID 126493232) is N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide.
What is the SMILES notation for N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide?
The canonical SMILES for N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide is C=CC/C(=N\C(=C)C)N(C(CC)CC)C(C)C(=C)C.
What is the InChIKey of N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide?
The InChIKey is GGLKDZCERRJUQL-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H30N2/c1-9-12-17(18-14(6)7)19(15(8)13(4)5)16(10-2)11-3/h9,15-16H,1,4,6,10-12H2,2-3,5,7-8H3/b18-17+.
What are the key properties of N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide?
N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide has a molecular weight of 262.44 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-en-2-yl)-N-pentan-3-yl-N'-prop-1-en-2-ylbut-3-enimidamide is sourced from PubChem (CID 126493232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).