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

C16H22N4 — CID 114691489

IUPACN-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1c1cnnn1-c1ccccc1
InChIInChI=1S/C16H22N4/c1-12(2)17-10-13-8-9-15(13)16-11-18-19-20(16)14-6-4-3-5-7-14/h3-7,11-13,15,17H,8-10H2,1-2H3
InChIKeyUWKODMIBAAIKAI-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.76
Rot. Bonds5

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

N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 114691489) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID114691489
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1c1cnnn1-c1ccccc1
InChIInChI=1S/C16H22N4/c1-12(2)17-10-13-8-9-15(13)16-11-18-19-20(16)14-6-4-3-5-7-14/h3-7,11-13,15,17H,8-10H2,1-2H3
InChIKeyUWKODMIBAAIKAI-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine
CID 114691535
N-[(2-pyridin-3-ylcyclobutyl)methyl]propan-2-amine
CID 81018367
3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 114691507
2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 114690443
N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 62708561
4-(3-phenyltriazol-4-yl)piperidine
CID 84692024
2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043321
5-(4-methyl-1,3-dioxetan-2-yl)-1-phenyltriazole
CID 67576363
N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017220
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81017644
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017316

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine (CID 114691489) is N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1c1cnnn1-c1ccccc1.
What is the InChIKey of N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is UWKODMIBAAIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)17-10-13-8-9-15(13)16-11-18-19-20(16)14-6-4-3-5-7-14/h3-7,11-13,15,17H,8-10H2,1-2H3.
What are the key properties of N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 114691489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).