N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine

C11H20N4 — CID 114691486

IUPACN-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1c1cnnn1C
InChIInChI=1S/C11H20N4/c1-3-6-12-7-9-4-5-10(9)11-8-13-14-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyZDMNREWNOWJGFI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.31
Rot. Bonds5

About N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine

N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 114691486) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID114691486
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1c1cnnn1C
InChIInChI=1S/C11H20N4/c1-3-6-12-7-9-4-5-10(9)11-8-13-14-15(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyZDMNREWNOWJGFI-UHFFFAOYSA-N
XLogP1.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-tert-butyl-2-(3-methyltriazol-4-yl)cyclohexyl]methyl]propan-1-amine
CID 114691617
N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
CID 81033039
N,2-dimethyl-3-(3-methyltriazol-4-yl)cyclopentan-1-amine
CID 114690489
N-[[2-(4-methoxy-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667118
N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine
CID 112747638
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667130
N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81028153
N-[[2-(5-bromo-3-methyltriazol-4-yl)cyclopentyl]methyl]propan-1-amine
CID 106463945
4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine
CID 114691395
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114667530
N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81026587
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 114667419

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine (CID 114691486) is N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1c1cnnn1C.
What is the InChIKey of N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is ZDMNREWNOWJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-6-12-7-9-4-5-10(9)11-8-13-14-15(11)2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methyltriazol-4-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 114691486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).