Tripelennamine Hydrochloride

C16H22ClN3 — CID 9066

IUPACN'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.Cl
InChIInChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
InChIKeyFSSICIQKZGUEAE-UHFFFAOYSA-N
MW291.82 g/mol
LogP—
Rot. Bonds6

About Tripelennamine Hydrochloride

Tripelennamine Hydrochloride (PubChem CID 9066) has the molecular formula C16H22ClN3 and a molecular weight of 291.82 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameTripelennamine Hydrochloride
PubChem CID9066
Molecular FormulaC16H22ClN3
Molecular Weight291.82 g/mol
Exact Mass291.15
IUPAC NameN'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.Cl
InChIInChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
InChIKeyFSSICIQKZGUEAE-UHFFFAOYSA-N
XLogP—
TPSA19.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity236

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Mirtazapine
CID 4205
Chloropyramine
CID 25295
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
Chloropyramine Hydrochloride
CID 80311
2-(Benzylamino)pyridine
CID 23362
2-Dimethylaminopyridine
CID 21885
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786

Frequently Asked Questions

What is the IUPAC name of Tripelennamine Hydrochloride?
The IUPAC name of Tripelennamine Hydrochloride (CID 9066) is N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for Tripelennamine Hydrochloride?
The canonical SMILES for Tripelennamine Hydrochloride is CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.Cl.
What is the InChIKey of Tripelennamine Hydrochloride?
The InChIKey is FSSICIQKZGUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H.
What are the key properties of Tripelennamine Hydrochloride?
Tripelennamine Hydrochloride has a molecular weight of 291.82 g/mol, XLogP of not available, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tripelennamine Hydrochloride is sourced from PubChem (CID 9066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).