N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine

C19H27N5O — CID 56899834

IUPACN,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine
SMILESC=CCCC(CN(C)Cc1cccnc1)Oc1cncc(N(C)C)n1
InChIInChI=1S/C19H27N5O/c1-5-6-9-17(15-24(4)14-16-8-7-10-20-11-16)25-19-13-21-12-18(22-19)23(2)3/h5,7-8,10-13,17H,1,6,9,14-15H2,2-4H3
InChIKeyYBXMJEDXAIEGEN-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.78
Rot. Bonds10

About N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine

N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine (PubChem CID 56899834) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine
PubChem CID56899834
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine
SMILESC=CCCC(CN(C)Cc1cccnc1)Oc1cncc(N(C)C)n1
InChIInChI=1S/C19H27N5O/c1-5-6-9-17(15-24(4)14-16-8-7-10-20-11-16)25-19-13-21-12-18(22-19)23(2)3/h5,7-8,10-13,17H,1,6,9,14-15H2,2-4H3
InChIKeyYBXMJEDXAIEGEN-UHFFFAOYSA-N
XLogP2.78
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine
CID 95207472
(2R)-N-methyl-2-[[5-(methylsulfanylmethyl)-2-pyridinyl]oxy]-N-(pyridin-3-ylmethyl)hex-5-en-1-amine
CID 95873238
N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine
CID 56885475
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 63071613
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
1-N-methyl-3-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]oxy-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 145473011
2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile
CID 56887650

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine (CID 56899834) is N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine is C=CCCC(CN(C)Cc1cccnc1)Oc1cncc(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine?
The InChIKey is YBXMJEDXAIEGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-6-9-17(15-24(4)14-16-8-7-10-20-11-16)25-19-13-21-12-18(22-19)23(2)3/h5,7-8,10-13,17H,1,6,9,14-15H2,2-4H3.
What are the key properties of N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine?
N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine has a molecular weight of 341.46 g/mol, XLogP of 2.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine is sourced from PubChem (CID 56899834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).