N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine

C11H21N3S — CID 62421129

IUPACN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1csc(CN)n1
InChIInChI=1S/C11H21N3S/c1-4-9(2)6-14(3)7-10-8-15-11(5-12)13-10/h8-9H,4-7,12H2,1-3H3
InChIKeyGXFAJNQZLAIRKG-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.08
Rot. Bonds6

About N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine (PubChem CID 62421129) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
PubChem CID62421129
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1csc(CN)n1
InChIInChI=1S/C11H21N3S/c1-4-9(2)6-14(3)7-10-8-15-11(5-12)13-10/h8-9H,4-7,12H2,1-3H3
InChIKeyGXFAJNQZLAIRKG-UHFFFAOYSA-N
XLogP2.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62420743
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62421494
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,4-diamine
CID 80544051
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 79470567
1-N,2-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,6-diamine
CID 65296187
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79494155
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methylpentan-1-one
CID 116585114
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
[2-(aminomethyl)-1,3-thiazol-4-yl]methanethiol
CID 82502783
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727919

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine (CID 62421129) is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)Cc1csc(CN)n1.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is GXFAJNQZLAIRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-9(2)6-14(3)7-10-8-15-11(5-12)13-10/h8-9H,4-7,12H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine?
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62421129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).