4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine

C18H31N5 — CID 138702921

IUPAC4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine
SMILESC=C(NC(C)C1=CC(C)N(C)C(NC)=C1)C1CNC=C(C)N1C
InChIInChI=1S/C18H31N5/c1-12-8-16(9-18(19-5)23(12)7)14(3)21-15(4)17-11-20-10-13(2)22(17)6/h8-10,12,14,17,19-21H,4,11H2,1-3,5-7H3
InChIKeyUIBUKQAKPIASGS-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.56
Rot. Bonds5

About 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine

4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine (PubChem CID 138702921) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine.

Molecular Properties

Compound Name4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine
PubChem CID138702921
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine
SMILESC=C(NC(C)C1=CC(C)N(C)C(NC)=C1)C1CNC=C(C)N1C
InChIInChI=1S/C18H31N5/c1-12-8-16(9-18(19-5)23(12)7)14(3)21-15(4)17-11-20-10-13(2)22(17)6/h8-10,12,14,17,19-21H,4,11H2,1-3,5-7H3
InChIKeyUIBUKQAKPIASGS-UHFFFAOYSA-N
XLogP1.56
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-[2-[(1E)-3-(1,4-diazepan-1-yl)-2-methylbuta-1,3-dienyl]-3-(2-methylprop-1-enyl)azirin-1-yl]-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenamine
CID 170082826
Tris[2-ethyl-(2-pyridyl)]-amine
CID 129856796
N,N,2-trimethyl-N'-(8-methyl-1,7-dihydroquinolin-2-yl)propane-1,3-diamine
CID 69640710
N-(2,3-dimethyl-1H-pyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 70587993
(Z)-3-N-(8-amino-1,2,5,6-tetrahydronaphthalen-1-yl)-1-N-ethyl-1-N-methylbut-1-ene-1,2,3-triamine
CID 89643332
(Z)-1-(2,3,3a,4,7,8-hexahydro-1H-perimidin-2-yl)-N'-ethyl-N'-methylethene-1,2-diamine
CID 89643360
(3E)-3-[dimethylamino(methylamino)methylidene]-4-N-methylcyclohexa-1,5-diene-1,4-diamine
CID 89666708
2-N-[1-[(2-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine
CID 89935015
2,3-dimethyl-2-piperazin-1-yl-1H-pyridin-4-amine
CID 118140482
2-N-[1-[1-(6-ethenyl-1,2-dihydropyridin-3-yl)ethyl-methylamino]ethyl]-2-methyl-2-N-(2-methylidenebut-3-enyl)-3-N-[(Z)-prop-1-enyl]aziridine-2,3-diamine
CID 130390315
6-(6-ethyl-1,3-dimethyl-2H-pyridin-5-yl)-N,1,5-trimethyl-2H-pyridin-2-amine
CID 132125524
6,7-Dimethyl-2-(3-propan-2-ylpiperazin-1-yl)-1,4,4a,8a-tetrahydroquinoxaline
CID 132195785

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine?
The IUPAC name of 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine (CID 138702921) is 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine.
What is the SMILES notation for 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine?
The canonical SMILES for 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine is C=C(NC(C)C1=CC(C)N(C)C(NC)=C1)C1CNC=C(C)N1C.
What is the InChIKey of 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine?
The InChIKey is UIBUKQAKPIASGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-12-8-16(9-18(19-5)23(12)7)14(3)21-15(4)17-11-20-10-13(2)22(17)6/h8-10,12,14,17,19-21H,4,11H2,1-3,5-7H3.
What are the key properties of 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine?
4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine has a molecular weight of 317.48 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4,5-dimethyl-2,3-dihydro-1H-pyrazin-3-yl)ethenylamino]ethyl]-N,1,2-trimethyl-2H-pyridin-6-amine is sourced from PubChem (CID 138702921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).