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

C17H24ClN3 — CID 3022192

IUPACN,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
SMILESCC(c1ccccc1)N(CCN(C)C)c1ccccn1.Cl
InChIInChI=1S/C17H23N3.ClH/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;1H
InChIKeyLVXMAPXSDQGSNT-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.63
Rot. Bonds6

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

N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride (PubChem CID 3022192) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
PubChem CID3022192
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
SMILESCC(c1ccccc1)N(CCN(C)C)c1ccccn1.Cl
InChIInChI=1S/C17H23N3.ClH/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;1H
InChIKeyLVXMAPXSDQGSNT-UHFFFAOYSA-N
XLogP3.63
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride?
The IUPAC name of N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride (CID 3022192) is N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride is CC(c1ccccc1)N(CCN(C)C)c1ccccn1.Cl.
What is the InChIKey of N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride?
The InChIKey is LVXMAPXSDQGSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.ClH/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;1H.
What are the key properties of N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride?
N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 3.63, 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;hydrochloride is sourced from PubChem (CID 3022192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).