2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine

C13H24N4 — CID 107053273

IUPAC2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2cn(C)nn2)CCC1
InChIInChI=1S/C13H24N4/c1-11(2)8-14-10-13(5-4-6-13)7-12-9-17(3)16-15-12/h9,11,14H,4-8,10H2,1-3H3
InChIKeyLJQYGYDFKPWCPZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.77
Rot. Bonds6

About 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine

2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine (PubChem CID 107053273) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine
PubChem CID107053273
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2cn(C)nn2)CCC1
InChIInChI=1S/C13H24N4/c1-11(2)8-14-10-13(5-4-6-13)7-12-9-17(3)16-15-12/h9,11,14H,4-8,10H2,1-3H3
InChIKeyLJQYGYDFKPWCPZ-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methanamine
CID 107053262
1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole
CID 107058600
[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine
CID 107057461
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 107053306
[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 107057422
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057685
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine (CID 107053273) is 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine is CC(C)CNCC1(Cc2cn(C)nn2)CCC1.
What is the InChIKey of 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The InChIKey is LJQYGYDFKPWCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)8-14-10-13(5-4-6-13)7-12-9-17(3)16-15-12/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine?
2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 107053273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).