N,N'-bis(but-2-en-2-yl)propanimidamide

C11H20N2 — CID 123391975

IUPACN,N'-bis(but-2-en-2-yl)propanimidamide
SMILESCC=C(C)/N=C(\CC)NC(C)=CC
InChIInChI=1S/C11H20N2/c1-6-9(4)12-11(8-3)13-10(5)7-2/h6-7H,8H2,1-5H3,(H,12,13)
InChIKeyFHBPVQRNTDCXIH-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.23
Rot. Bonds3

About N,N'-bis(but-2-en-2-yl)propanimidamide

N,N'-bis(but-2-en-2-yl)propanimidamide (PubChem CID 123391975) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,N'-bis(but-2-en-2-yl)propanimidamide.

Molecular Properties

Compound NameN,N'-bis(but-2-en-2-yl)propanimidamide
PubChem CID123391975
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,N'-bis(but-2-en-2-yl)propanimidamide
SMILESCC=C(C)/N=C(\CC)NC(C)=CC
InChIInChI=1S/C11H20N2/c1-6-9(4)12-11(8-3)13-10(5)7-2/h6-7H,8H2,1-5H3,(H,12,13)
InChIKeyFHBPVQRNTDCXIH-UHFFFAOYSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
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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Related Compounds

N',2-dimethyl-N-prop-1-en-2-ylpropanimidamide
CID 89152922
2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylpropanimidamide
CID 89152923
N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide
CID 91073028
N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
CID 91170890
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
N,N'-bis(but-2-en-2-yl)ethanimidamide
CID 123267429
N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide
CID 123655703
N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 123668013
(E)-N'-ethyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 124182032
N'-methyl-N-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 126636618
N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide
CID 134376358
4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine
CID 135243264

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(but-2-en-2-yl)propanimidamide?
The IUPAC name of N,N'-bis(but-2-en-2-yl)propanimidamide (CID 123391975) is N,N'-bis(but-2-en-2-yl)propanimidamide.
What is the SMILES notation for N,N'-bis(but-2-en-2-yl)propanimidamide?
The canonical SMILES for N,N'-bis(but-2-en-2-yl)propanimidamide is CC=C(C)/N=C(\CC)NC(C)=CC.
What is the InChIKey of N,N'-bis(but-2-en-2-yl)propanimidamide?
The InChIKey is FHBPVQRNTDCXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-9(4)12-11(8-3)13-10(5)7-2/h6-7H,8H2,1-5H3,(H,12,13).
What are the key properties of N,N'-bis(but-2-en-2-yl)propanimidamide?
N,N'-bis(but-2-en-2-yl)propanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(but-2-en-2-yl)propanimidamide is sourced from PubChem (CID 123391975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).