N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine

C17H23N3 — CID 3022193

IUPACN,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine
SMILESCC(c1ccccc1)N(CCN(C)C)c1ccccn1
InChIInChI=1S/C17H23N3/c1-15(16-9-5-4-6-10-16)20(14-13-19(2)3)17-11-7-8-12-18-17/h4-12,15H,13-14H2,1-3H3
InChIKeyQIUSRYJPGVEDQL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.21
Rot. Bonds6

About N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine

N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 3022193) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID3022193
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine
SMILESCC(c1ccccc1)N(CCN(C)C)c1ccccn1
InChIInChI=1S/C17H23N3/c1-15(16-9-5-4-6-10-16)20(14-13-19(2)3)17-11-7-8-12-18-17/h4-12,15H,13-14H2,1-3H3
InChIKeyQIUSRYJPGVEDQL-UHFFFAOYSA-N
XLogP3.21
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
CID 63225574
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
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-tert-butyl-N'-propan-2-yl-N'-pyridin-2-ylethane-1,2-diamine
CID 91337811
N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 15113036
(1S)-N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 141001735
2-(dipyridin-2-ylamino)propanoic acid
CID 138338502
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
N-methyl-N-[2-phenyl-2-(propan-2-ylamino)oxyethyl]pyridin-2-amine
CID 89132307
(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
CID 6328079
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine
CID 13019465

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine (CID 3022193) is N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine is CC(c1ccccc1)N(CCN(C)C)c1ccccn1.
What is the InChIKey of N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is QIUSRYJPGVEDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-15(16-9-5-4-6-10-16)20(14-13-19(2)3)17-11-7-8-12-18-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 3022193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).