N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine

C11H21N5 — CID 105415593

IUPACN,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCc2cn(C)nn2)CCC1
InChIInChI=1S/C11H21N5/c1-15(2)11(5-4-6-11)9-12-7-10-8-16(3)14-13-10/h8,12H,4-7,9H2,1-3H3
InChIKeyRCWLVWHBSNZTQE-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds5

About N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine

N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 105415593) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine
PubChem CID105415593
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCc2cn(C)nn2)CCC1
InChIInChI=1S/C11H21N5/c1-15(2)11(5-4-6-11)9-12-7-10-8-16(3)14-13-10/h8,12H,4-7,9H2,1-3H3
InChIKeyRCWLVWHBSNZTQE-UHFFFAOYSA-N
XLogP0.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 105415204
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1-methyltriazol-4-yl)methanamine
CID 107267202
1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105414949
N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 43766465
N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 115682190
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methanamine
CID 107053262
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]acetamide
CID 62757210
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 62757749
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 63983700
1-[2-(chloromethyl)cyclohexyl]-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 107054064
N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 55113610

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine (CID 105415593) is N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine is CN(C)C1(CNCc2cn(C)nn2)CCC1.
What is the InChIKey of N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is RCWLVWHBSNZTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-15(2)11(5-4-6-11)9-12-7-10-8-16(3)14-13-10/h8,12H,4-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 105415593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).