N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride

C16H22ClN3 — CID 162641472

IUPACN-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride
SMILESCl.[2H]C([2H])(N(C)C)C([2H])([2H])N(Cc1ccccc1)c1ccccn1
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/i12D2,13D2;
InChIKeyFSSICIQKZGUEAE-QJUQVXHISA-N
MW295.85 g/mol
LogP3.07
Rot. Bonds6

About N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride

N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride (PubChem CID 162641472) has the molecular formula C16H22ClN3 and a molecular weight of 295.85 g/mol. Its IUPAC name is N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride
PubChem CID162641472
Molecular FormulaC16H22ClN3
Molecular Weight295.85 g/mol
Exact Mass295.18
IUPAC NameN-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride
SMILESCl.[2H]C([2H])(N(C)C)C([2H])([2H])N(Cc1ccccc1)c1ccccn1
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/i12D2,13D2;
InChIKeyFSSICIQKZGUEAE-QJUQVXHISA-N
XLogP3.07
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 70976609
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 91581925
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
CID 155774731
N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine
CID 166382623
N-methyl-N-(4-phenylbutyl)pyridin-2-amine
CID 102464733
2-[benzyl(pyridin-2-yl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 4625405
N,N-dibenzyl-4-methylpyrimidin-2-amine
CID 66545602
2-[benzyl(pyridin-2-yl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 118985422

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride?
The IUPAC name of N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride (CID 162641472) is N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride is Cl.[2H]C([2H])(N(C)C)C([2H])([2H])N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride?
The InChIKey is FSSICIQKZGUEAE-QJUQVXHISA-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/i12D2,13D2;.
What are the key properties of N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride?
N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 162641472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).