N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide

C12H26N4 — CID 144709362

IUPACN'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide
SMILESC/C(=C\N=C(/C)N)N(C)CCN(C)C(C)C
InChIInChI=1S/C12H26N4/c1-10(2)15(5)7-8-16(6)11(3)9-14-12(4)13/h9-10H,7-8H2,1-6H3,(H2,13,14)/b11-9+
InChIKeyUJRKCTANCIQAMD-PKNBQFBNSA-N
MW226.37 g/mol
LogP1.50
Rot. Bonds6

About N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide

N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide (PubChem CID 144709362) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide
PubChem CID144709362
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide
SMILESC/C(=C\N=C(/C)N)N(C)CCN(C)C(C)C
InChIInChI=1S/C12H26N4/c1-10(2)15(5)7-8-16(6)11(3)9-14-12(4)13/h9-10H,7-8H2,1-6H3,(H2,13,14)/b11-9+
InChIKeyUJRKCTANCIQAMD-PKNBQFBNSA-N
XLogP1.50
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-Amino-4,6-dimethylpyrazine
CID 54502378
N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
CID 89383686
N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide
CID 123307868
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
ethane;N-ethyl-4,6-dimethyl-1,3-dihydropyrazin-2-imine
CID 142345217
2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide
CID 143254213
N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide
CID 144709361
N'-[(E)-2-[butyl(methyl)amino]prop-1-enyl]ethanimidamide
CID 144709365
N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide
CID 144709725
ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide
CID 145267739
2-(ethylamino)-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide
CID 156182352
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide
CID 142097634

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide (CID 144709362) is N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide is C/C(=C\N=C(/C)N)N(C)CCN(C)C(C)C.
What is the InChIKey of N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide?
The InChIKey is UJRKCTANCIQAMD-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H26N4/c1-10(2)15(5)7-8-16(6)11(3)9-14-12(4)13/h9-10H,7-8H2,1-6H3,(H2,13,14)/b11-9+.
What are the key properties of N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide?
N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide has a molecular weight of 226.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide is sourced from PubChem (CID 144709362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).