(Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane

C14H30N2 — CID 143660707

IUPAC(Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane
SMILESC/C=C\C(=N/C)N(CC)CCCC.CCC
InChIInChI=1S/C11H22N2.C3H8/c1-5-8-10-13(7-3)11(12-4)9-6-2;1-3-2/h6,9H,5,7-8,10H2,1-4H3;3H2,1-2H3/b9-6-,12-11+;
InChIKeyGGERKKBBFANZPS-JRXBEQJLSA-N
MW226.41 g/mol
LogP4.13
Rot. Bonds5

About (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane

(Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane (PubChem CID 143660707) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane.

Molecular Properties

Compound Name(Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane
PubChem CID143660707
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name(Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane
SMILESC/C=C\C(=N/C)N(CC)CCCC.CCC
InChIInChI=1S/C11H22N2.C3H8/c1-5-8-10-13(7-3)11(12-4)9-6-2;1-3-2/h6,9H,5,7-8,10H2,1-4H3;3H2,1-2H3/b9-6-,12-11+;
InChIKeyGGERKKBBFANZPS-JRXBEQJLSA-N
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.13
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane?
The IUPAC name of (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane (CID 143660707) is (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane.
What is the SMILES notation for (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane?
The canonical SMILES for (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane is C/C=C\C(=N/C)N(CC)CCCC.CCC.
What is the InChIKey of (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane?
The InChIKey is GGERKKBBFANZPS-JRXBEQJLSA-N. The full InChI is InChI=1S/C11H22N2.C3H8/c1-5-8-10-13(7-3)11(12-4)9-6-2;1-3-2/h6,9H,5,7-8,10H2,1-4H3;3H2,1-2H3/b9-6-,12-11+;.
What are the key properties of (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane?
(Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane has a molecular weight of 226.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-N-ethyl-N'-methylbut-2-enimidamide;propane is sourced from PubChem (CID 143660707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).