N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine

C11H18ClN3 — CID 103054133

IUPACN-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)Cc1cnc(Cl)cn1
InChIInChI=1S/C11H18ClN3/c1-9(2)4-5-15(3)8-10-6-14-11(12)7-13-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyXXXUSPPXXAPWDX-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.61
Rot. Bonds5

About N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine

N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine (PubChem CID 103054133) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
PubChem CID103054133
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)Cc1cnc(Cl)cn1
InChIInChI=1S/C11H18ClN3/c1-9(2)4-5-15(3)8-10-6-14-11(12)7-13-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyXXXUSPPXXAPWDX-UHFFFAOYSA-N
XLogP2.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103060692
N-[(5-chloropyrazin-2-yl)methyl]-N-methylpentan-2-amine
CID 103054087
ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate
CID 103055315
2-chloro-5-(3-methylbutoxymethyl)pyrazine
CID 103054737
1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine
CID 103054121
1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103054422
2-[(5-chloropyrazin-2-yl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 103054171
2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol
CID 103054105
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-N,N-dimethylethanamine
CID 103055108
N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 103054155
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N,3-dimethylbutan-1-amine
CID 61428998
5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine
CID 103056806

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine (CID 103054133) is N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine is CC(C)CCN(C)Cc1cnc(Cl)cn1.
What is the InChIKey of N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is XXXUSPPXXAPWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-9(2)4-5-15(3)8-10-6-14-11(12)7-13-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine?
N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 103054133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).