5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride

C17H31ClN4 — CID 120897054

IUPAC5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCC(N)C1CCCCN1Cc1ccc(N(C)C(C)C)nc1.Cl
InChIInChI=1S/C17H30N4.ClH/c1-13(2)20(4)17-9-8-15(11-19-17)12-21-10-6-5-7-16(21)14(3)18;/h8-9,11,13-14,16H,5-7,10,12,18H2,1-4H3;1H
InChIKeyPTAKFYOOTLMDGI-UHFFFAOYSA-N
MW326.92 g/mol
LogP3.05
Rot. Bonds5

About 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride

5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride (PubChem CID 120897054) has the molecular formula C17H31ClN4 and a molecular weight of 326.92 g/mol. Its IUPAC name is 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
PubChem CID120897054
Molecular FormulaC17H31ClN4
Molecular Weight326.92 g/mol
Exact Mass326.22
IUPAC Name5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCC(N)C1CCCCN1Cc1ccc(N(C)C(C)C)nc1.Cl
InChIInChI=1S/C17H30N4.ClH/c1-13(2)20(4)17-9-8-15(11-19-17)12-21-10-6-5-7-16(21)14(3)18;/h8-9,11,13-14,16H,5-7,10,12,18H2,1-4H3;1H
InChIKeyPTAKFYOOTLMDGI-UHFFFAOYSA-N
XLogP3.05
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.92
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride with MolForge

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Related Compounds

1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
CID 55167435
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120839700
5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120846227
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
CID 119911607
5-[(2,5-dimethylpiperazin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120906404
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
CID 63254456
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
1-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 104869108
N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120912459
4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one
CID 119048688

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride (CID 120897054) is 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride is CC(N)C1CCCCN1Cc1ccc(N(C)C(C)C)nc1.Cl.
What is the InChIKey of 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
The InChIKey is PTAKFYOOTLMDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4.ClH/c1-13(2)20(4)17-9-8-15(11-19-17)12-21-10-6-5-7-16(21)14(3)18;/h8-9,11,13-14,16H,5-7,10,12,18H2,1-4H3;1H.
What are the key properties of 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride has a molecular weight of 326.92 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120897054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).