N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine

C14H27N5 — CID 171743056

IUPACN-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C2CCN(C(C)C)CC2)nn1
InChIInChI=1S/C14H27N5/c1-11(2)15-9-13-10-19(17-16-13)14-5-7-18(8-6-14)12(3)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyKYGDXOVWWLOKEB-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.82
Rot. Bonds5

About N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine

N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 171743056) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine
PubChem CID171743056
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C2CCN(C(C)C)CC2)nn1
InChIInChI=1S/C14H27N5/c1-11(2)15-9-13-10-19(17-16-13)14-5-7-18(8-6-14)12(3)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyKYGDXOVWWLOKEB-UHFFFAOYSA-N
XLogP1.82
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)triazol-4-yl]methyl]propan-2-amine
CID 114624369
N-[(1-cyclopentyltriazol-4-yl)methyl]cyclopropanamine
CID 66193785
N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46995833
(2S)-2-[4-[4-(azepan-1-ylmethyl)triazol-1-yl]piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 95046771
1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine
CID 46991942
2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine
CID 66193062
N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62412244
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421519
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62440052
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-ol
CID 117124728

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine (CID 171743056) is N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(C2CCN(C(C)C)CC2)nn1.
What is the InChIKey of N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is KYGDXOVWWLOKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11(2)15-9-13-10-19(17-16-13)14-5-7-18(8-6-14)12(3)4/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 171743056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).