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

C15H29N5 — CID 79045251

IUPAC3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H29N5/c1-4-8-20-14(17-12-18-20)11-13(16)15(2,3)19-9-6-5-7-10-19/h12-13H,4-11,16H2,1-3H3
InChIKeyBSGYSHPEVRCXKC-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.82
Rot. Bonds6

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

3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 79045251) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID79045251
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H29N5/c1-4-8-20-14(17-12-18-20)11-13(16)15(2,3)19-9-6-5-7-10-19/h12-13H,4-11,16H2,1-3H3
InChIKeyBSGYSHPEVRCXKC-UHFFFAOYSA-N
XLogP1.82
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 79045251) is 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCn1ncnc1CC(N)C(C)(C)N1CCCCC1.
What is the InChIKey of 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is BSGYSHPEVRCXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-4-8-20-14(17-12-18-20)11-13(16)15(2,3)19-9-6-5-7-10-19/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 1.82, 6 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)butan-2-amine is sourced from PubChem (CID 79045251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).