5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride

C17H31ClN4 — CID 120846227

IUPAC5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCC(C)N(C)c1ccc(CN2CCCC(CCN)C2)cn1.Cl
InChIInChI=1S/C17H30N4.ClH/c1-14(2)20(3)17-7-6-16(11-19-17)13-21-10-4-5-15(12-21)8-9-18;/h6-7,11,14-15H,4-5,8-10,12-13,18H2,1-3H3;1H
InChIKeyBXHZFEAFSDBCGU-UHFFFAOYSA-N
MW326.92 g/mol
LogP2.91
Rot. Bonds6

About 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride

5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride (PubChem CID 120846227) has the molecular formula C17H31ClN4 and a molecular weight of 326.92 g/mol. Its IUPAC name is 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
PubChem CID120846227
Molecular FormulaC17H31ClN4
Molecular Weight326.92 g/mol
Exact Mass326.22
IUPAC Name5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCC(C)N(C)c1ccc(CN2CCCC(CCN)C2)cn1.Cl
InChIInChI=1S/C17H30N4.ClH/c1-14(2)20(3)17-7-6-16(11-19-17)13-21-10-4-5-15(12-21)8-9-18;/h6-7,11,14-15H,4-5,8-10,12-13,18H2,1-3H3;1H
InChIKeyBXHZFEAFSDBCGU-UHFFFAOYSA-N
XLogP2.91
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.92
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439
N-methyl-5-[[4-(methylamino)piperidin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120839700
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120841116
5-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120897054
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728409
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120837862
2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728273

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride (CID 120846227) is 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride is CC(C)N(C)c1ccc(CN2CCCC(CCN)C2)cn1.Cl.
What is the InChIKey of 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
The InChIKey is BXHZFEAFSDBCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4.ClH/c1-14(2)20(3)17-7-6-16(11-19-17)13-21-10-4-5-15(12-21)8-9-18;/h6-7,11,14-15H,4-5,8-10,12-13,18H2,1-3H3;1H.
What are the key properties of 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride?
5-[[3-(2-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 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120846227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).