N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine

C10H18N4S — CID 107267202

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine
SMILESCSC1(CNCc2cn(C)nn2)CCC1
InChIInChI=1S/C10H18N4S/c1-14-7-9(12-13-14)6-11-8-10(15-2)4-3-5-10/h7,11H,3-6,8H2,1-2H3
InChIKeyCCDUQGBNLKKKSB-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.19
Rot. Bonds5

About N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine

N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine (PubChem CID 107267202) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine
PubChem CID107267202
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine
SMILESCSC1(CNCc2cn(C)nn2)CCC1
InChIInChI=1S/C10H18N4S/c1-14-7-9(12-13-14)6-11-8-10(15-2)4-3-5-10/h7,11H,3-6,8H2,1-2H3
InChIKeyCCDUQGBNLKKKSB-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 105415593
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 63983700
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methanamine
CID 107053262
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 107267185
N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 55113610
1-[2-(chloromethyl)cyclohexyl]-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 107054064
4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115758120
2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 107053273
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892
1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid
CID 107044966
1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115868
3-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 105415204

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine (CID 107267202) is N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine is CSC1(CNCc2cn(C)nn2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine?
The InChIKey is CCDUQGBNLKKKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-14-7-9(12-13-14)6-11-8-10(15-2)4-3-5-10/h7,11H,3-6,8H2,1-2H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine?
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine has a molecular weight of 226.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 107267202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).