N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide

C12H24N4 — CID 123977289

IUPACN'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide
SMILESC/C=C(C)/N=C(/N=C(CC)N(C)C)N(C)C
InChIInChI=1S/C12H24N4/c1-8-10(3)13-12(16(6)7)14-11(9-2)15(4)5/h8H,9H2,1-7H3/b10-8+,13-12-,14-11?
InChIKeyPDHIOYXUMCKGFV-OHRILXMZSA-N
MW224.35 g/mol
LogP2.20
Rot. Bonds2

About N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide

N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide (PubChem CID 123977289) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide
PubChem CID123977289
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide
SMILESC/C=C(C)/N=C(/N=C(CC)N(C)C)N(C)C
InChIInChI=1S/C12H24N4/c1-8-10(3)13-12(16(6)7)14-11(9-2)15(4)5/h8H,9H2,1-7H3/b10-8+,13-12-,14-11?
InChIKeyPDHIOYXUMCKGFV-OHRILXMZSA-N
XLogP2.20
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.20
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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Related Compounds

N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
CID 123219770
N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide
CID 123623563
N-[(E)-but-2-en-2-yl]-N-methyl-N'-propan-2-ylpropanimidamide
CID 156235225

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide?
The IUPAC name of N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide (CID 123977289) is N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide.
What is the SMILES notation for N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide?
The canonical SMILES for N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide is C/C=C(C)/N=C(/N=C(CC)N(C)C)N(C)C.
What is the InChIKey of N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide?
The InChIKey is PDHIOYXUMCKGFV-OHRILXMZSA-N. The full InChI is InChI=1S/C12H24N4/c1-8-10(3)13-12(16(6)7)14-11(9-2)15(4)5/h8H,9H2,1-7H3/b10-8+,13-12-,14-11?.
What are the key properties of N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide?
N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide has a molecular weight of 224.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide is sourced from PubChem (CID 123977289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).