4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine

C11H25N5 — CID 146579861

IUPAC4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine
SMILESCCCC1CNCC(N)C1N1NCNC1C
InChIInChI=1S/C11H25N5/c1-3-4-9-5-13-6-10(12)11(9)16-8(2)14-7-15-16/h8-11,13-15H,3-7,12H2,1-2H3
InChIKeyHEUAUVRQXQBKRJ-UHFFFAOYSA-N
MW227.36 g/mol
LogP-0.58
Rot. Bonds3

About 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine

4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine (PubChem CID 146579861) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine
PubChem CID146579861
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine
SMILESCCCC1CNCC(N)C1N1NCNC1C
InChIInChI=1S/C11H25N5/c1-3-4-9-5-13-6-10(12)11(9)16-8(2)14-7-15-16/h8-11,13-15H,3-7,12H2,1-2H3
InChIKeyHEUAUVRQXQBKRJ-UHFFFAOYSA-N
XLogP-0.58
TPSA65.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-methyl-4-propylpyrrolidine
CID 166487820
[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
CID 10866309
(4S)-3-methyl-4-nonylpyrrolidine
CID 118011662
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152
(4-methylpyrrolidin-3-yl)methanol
CID 23396990
tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
CID 84801698
1-methyl-5-[(3S,4R)-4-propylpyrrolidin-3-yl]pyrazole
CID 125449459
1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole
CID 125449442
1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole
CID 125449460
(3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride
CID 25178690
2-propylaziridine
CID 544792
(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol
CID 101020792

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine?
The IUPAC name of 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine (CID 146579861) is 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine.
What is the SMILES notation for 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine?
The canonical SMILES for 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine is CCCC1CNCC(N)C1N1NCNC1C.
What is the InChIKey of 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine?
The InChIKey is HEUAUVRQXQBKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-3-4-9-5-13-6-10(12)11(9)16-8(2)14-7-15-16/h8-11,13-15H,3-7,12H2,1-2H3.
What are the key properties of 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine?
4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine has a molecular weight of 227.36 g/mol, XLogP of -0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine is sourced from PubChem (CID 146579861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).