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

C16H29ClN4 — CID 120841116

IUPAC5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2CCCC(C(C)N)C2)cn1.Cl
InChIInChI=1S/C16H28N4.ClH/c1-4-19(3)16-8-7-14(10-18-16)11-20-9-5-6-15(12-20)13(2)17;/h7-8,10,13,15H,4-6,9,11-12,17H2,1-3H3;1H
InChIKeyRFUZORBOUJPCDP-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.52
Rot. Bonds5

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

5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride (PubChem CID 120841116) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is 5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
PubChem CID120841116
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC Name5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2CCCC(C(C)N)C2)cn1.Cl
InChIInChI=1S/C16H28N4.ClH/c1-4-19(3)16-8-7-14(10-18-16)11-20-9-5-6-15(12-20)13(2)17;/h7-8,10,13,15H,4-6,9,11-12,17H2,1-3H3;1H
InChIKeyRFUZORBOUJPCDP-UHFFFAOYSA-N
XLogP2.52
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120843448
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843449
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120838198
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836162
5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120846227
5-[(3,5-dimethylpiperazin-1-yl)methyl]-N-ethyl-N-methylpyridin-2-amine
CID 120840096
2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120844114
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride (CID 120841116) is 5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride is CCN(C)c1ccc(CN2CCCC(C(C)N)C2)cn1.Cl.
What is the InChIKey of 5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The InChIKey is RFUZORBOUJPCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4.ClH/c1-4-19(3)16-8-7-14(10-18-16)11-20-9-5-6-15(12-20)13(2)17;/h7-8,10,13,15H,4-6,9,11-12,17H2,1-3H3;1H.
What are the key properties of 5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120841116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).