N,N'-di(propan-2-yl)but-3-enimidamide

C10H20N2 — CID 134920311

IUPACN,N'-di(propan-2-yl)but-3-enimidamide
SMILESC=CC/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C10H20N2/c1-6-7-10(11-8(2)3)12-9(4)5/h6,8-9H,1,7H2,2-5H3,(H,11,12)
InChIKeySRSNBCTUNGWTIJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.37
Rot. Bonds4

About N,N'-di(propan-2-yl)but-3-enimidamide

N,N'-di(propan-2-yl)but-3-enimidamide (PubChem CID 134920311) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)but-3-enimidamide.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)but-3-enimidamide
PubChem CID134920311
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N'-di(propan-2-yl)but-3-enimidamide
SMILESC=CC/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C10H20N2/c1-6-7-10(11-8(2)3)12-9(4)5/h6,8-9H,1,7H2,2-5H3,(H,11,12)
InChIKeySRSNBCTUNGWTIJ-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.37
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E)-N,N'-Di(propan-2-yl)prop-2-enimidamide
CID 330685
(E)-N,N'-di(propan-2-yl)but-2-enimidamide
CID 21721177
N',2-dimethyl-N-prop-2-enylpropanimidamide
CID 12683077
5-ethenyl-2-ethyl-4,5-dihydro-1H-imidazole
CID 19431843
N-propan-2-yl-N'-propylprop-2-enimidamide
CID 20344304
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
5-methyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 66693008
2-(2-prop-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 66830765
1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine
CID 67154122
5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole
CID 67315808
1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine
CID 67652156
5-ethyl-2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 68113508

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)but-3-enimidamide?
The IUPAC name of N,N'-di(propan-2-yl)but-3-enimidamide (CID 134920311) is N,N'-di(propan-2-yl)but-3-enimidamide.
What is the SMILES notation for N,N'-di(propan-2-yl)but-3-enimidamide?
The canonical SMILES for N,N'-di(propan-2-yl)but-3-enimidamide is C=CC/C(=N\C(C)C)NC(C)C.
What is the InChIKey of N,N'-di(propan-2-yl)but-3-enimidamide?
The InChIKey is SRSNBCTUNGWTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-7-10(11-8(2)3)12-9(4)5/h6,8-9H,1,7H2,2-5H3,(H,11,12).
What are the key properties of N,N'-di(propan-2-yl)but-3-enimidamide?
N,N'-di(propan-2-yl)but-3-enimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)but-3-enimidamide is sourced from PubChem (CID 134920311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).