3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine

C16H31N5 — CID 79060447

IUPAC3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCCn1ncnc1CC(N)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H31N5/c1-4-9-21-15(18-13-19-21)12-14(17)16(3,5-2)20-10-7-6-8-11-20/h13-14H,4-12,17H2,1-3H3
InChIKeyRXVOPZPJOPFTKT-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.21
Rot. Bonds7

About 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine

3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine (PubChem CID 79060447) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
PubChem CID79060447
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCCn1ncnc1CC(N)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H31N5/c1-4-9-21-15(18-13-19-21)12-14(17)16(3,5-2)20-10-7-6-8-11-20/h13-14H,4-12,17H2,1-3H3
InChIKeyRXVOPZPJOPFTKT-UHFFFAOYSA-N
XLogP2.21
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79045251
[3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105239944
3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79751932
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylpentan-2-yl]hydrazine
CID 105241370
1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052076
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052180
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
3-methyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068478
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
The IUPAC name of 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine (CID 79060447) is 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine.
What is the SMILES notation for 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
The canonical SMILES for 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine is CCCn1ncnc1CC(N)C(C)(CC)N1CCCCC1.
What is the InChIKey of 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
The InChIKey is RXVOPZPJOPFTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-4-9-21-15(18-13-19-21)12-14(17)16(3,5-2)20-10-7-6-8-11-20/h13-14H,4-12,17H2,1-3H3.
What are the key properties of 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine is sourced from PubChem (CID 79060447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).