N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide

C13H25ClN2 — CID 156729247

IUPACN'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide
SMILESCC/C(Cl)=C\N=C(/C)N(C)CCCC(C)C
InChIInChI=1S/C13H25ClN2/c1-6-13(14)10-15-12(4)16(5)9-7-8-11(2)3/h10-11H,6-9H2,1-5H3/b13-10+,15-12+
InChIKeyJJZNKEYBMXCLCE-WZDZGYJVSA-N
MW244.81 g/mol
LogP4.26
Rot. Bonds6

About N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide

N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide (PubChem CID 156729247) has the molecular formula C13H25ClN2 and a molecular weight of 244.81 g/mol. Its IUPAC name is N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide
PubChem CID156729247
Molecular FormulaC13H25ClN2
Molecular Weight244.81 g/mol
Exact Mass244.17
IUPAC NameN'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide
SMILESCC/C(Cl)=C\N=C(/C)N(C)CCCC(C)C
InChIInChI=1S/C13H25ClN2/c1-6-13(14)10-15-12(4)16(5)9-7-8-11(2)3/h10-11H,6-9H2,1-5H3/b13-10+,15-12+
InChIKeyJJZNKEYBMXCLCE-WZDZGYJVSA-N
XLogP4.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 54.26
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-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-methyl-N-(4-methylpentyl)formamide
CID 54179007
N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide
CID 115188981
N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
CID 115167449
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N,N-bis(4-methylpentyl)formamide
CID 23139123
N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
CID 118260688
N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate
CID 168941081
N-iodo-N,4-dimethylpentan-1-amine
CID 147099385
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide?
The IUPAC name of N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide (CID 156729247) is N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide.
What is the SMILES notation for N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide?
The canonical SMILES for N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide is CC/C(Cl)=C\N=C(/C)N(C)CCCC(C)C.
What is the InChIKey of N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide?
The InChIKey is JJZNKEYBMXCLCE-WZDZGYJVSA-N. The full InChI is InChI=1S/C13H25ClN2/c1-6-13(14)10-15-12(4)16(5)9-7-8-11(2)3/h10-11H,6-9H2,1-5H3/b13-10+,15-12+.
What are the key properties of N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide?
N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide has a molecular weight of 244.81 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-chlorobut-1-enyl]-N-methyl-N-(4-methylpentyl)ethanimidamide is sourced from PubChem (CID 156729247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).