N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide

C15H32N4 — CID 144709361

IUPACN'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide
SMILESCCCCN(C)C(C)CCN(C)/C(C)=C/N=C(\C)N
InChIInChI=1S/C15H32N4/c1-7-8-10-18(5)13(2)9-11-19(6)14(3)12-17-15(4)16/h12-13H,7-11H2,1-6H3,(H2,16,17)/b14-12+
InChIKeyJPBWTDKORUASID-WYMLVPIESA-N
MW268.45 g/mol
LogP2.67
Rot. Bonds9

About N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide

N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide (PubChem CID 144709361) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide
PubChem CID144709361
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide
SMILESCCCCN(C)C(C)CCN(C)/C(C)=C/N=C(\C)N
InChIInChI=1S/C15H32N4/c1-7-8-10-18(5)13(2)9-11-19(6)14(3)12-17-15(4)16/h12-13H,7-11H2,1-6H3,(H2,16,17)/b14-12+
InChIKeyJPBWTDKORUASID-WYMLVPIESA-N
XLogP2.67
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.67
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

N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide
CID 144709362
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
N'-[N'-[3-(dibutylamino)propyl]carbamimidoyl]-N-prop-1-en-2-ylethanimidamide
CID 173471405
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide
CID 142097634

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide (CID 144709361) is N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide is CCCCN(C)C(C)CCN(C)/C(C)=C/N=C(\C)N.
What is the InChIKey of N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide?
The InChIKey is JPBWTDKORUASID-WYMLVPIESA-N. The full InChI is InChI=1S/C15H32N4/c1-7-8-10-18(5)13(2)9-11-19(6)14(3)12-17-15(4)16/h12-13H,7-11H2,1-6H3,(H2,16,17)/b14-12+.
What are the key properties of N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide?
N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide has a molecular weight of 268.45 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-[3-[butyl(methyl)amino]butyl-methylamino]prop-1-enyl]ethanimidamide is sourced from PubChem (CID 144709361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).