N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

C15H29N5 — CID 124754878

IUPACN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(C)n1cnnc1CN(C)CCN1CCCC[C@@H]1C
InChIInChI=1S/C15H29N5/c1-13(2)20-12-16-17-15(20)11-18(4)9-10-19-8-6-5-7-14(19)3/h12-14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyPBSGVTXYTZOAIT-AWEZNQCLSA-N
MW279.43 g/mol
LogP2.17
Rot. Bonds6

About N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 124754878) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID124754878
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCC(C)n1cnnc1CN(C)CCN1CCCC[C@@H]1C
InChIInChI=1S/C15H29N5/c1-13(2)20-12-16-17-15(20)11-18(4)9-10-19-8-6-5-7-14(19)3/h12-14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyPBSGVTXYTZOAIT-AWEZNQCLSA-N
XLogP2.17
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
CID 50952219
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 124753653
N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 125180092
N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 46984007
1-cyclopropyl-N-methyl-N-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]sulfamoyl]ethanamine
CID 138044224
N-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(1H-pyrazol-4-yl)ethanamine
CID 124751623
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 56887934
1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine
CID 91835639
5-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56716905
(5R)-N-methyl-3-propan-2-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199588
trans-(1R,2R)-N-methyl-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 56754710
N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thian-3-amine
CID 115885218

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 124754878) is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is CC(C)n1cnnc1CN(C)CCN1CCCC[C@@H]1C.
What is the InChIKey of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is PBSGVTXYTZOAIT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N5/c1-13(2)20-12-16-17-15(20)11-18(4)9-10-19-8-6-5-7-14(19)3/h12-14H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 124754878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).