N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane

C18H36N2O — CID 164926946

IUPACN,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane
SMILESCC.CC.CC1=CC=C(C2(C)CCOC2)C(CN(C)C)N1
InChIInChI=1S/C14H24N2O.2C2H6/c1-11-5-6-12(13(15-11)9-16(3)4)14(2)7-8-17-10-14;2*1-2/h5-6,13,15H,7-10H2,1-4H3;2*1-2H3
InChIKeyGRAFOPLWXSKQQT-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.83
Rot. Bonds3

About N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane

N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane (PubChem CID 164926946) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane
PubChem CID164926946
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane
SMILESCC.CC.CC1=CC=C(C2(C)CCOC2)C(CN(C)C)N1
InChIInChI=1S/C14H24N2O.2C2H6/c1-11-5-6-12(13(15-11)9-16(3)4)14(2)7-8-17-10-14;2*1-2/h5-6,13,15H,7-10H2,1-4H3;2*1-2H3
InChIKeyGRAFOPLWXSKQQT-UHFFFAOYSA-N
XLogP3.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine
CID 163511528
2-[6-ethyl-3-(oxolan-3-yl)-1,2-dihydropyridin-2-yl]-N,N-dimethylpropan-2-amine
CID 165400270
N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine
CID 164926947

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane (CID 164926946) is N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane is CC.CC.CC1=CC=C(C2(C)CCOC2)C(CN(C)C)N1.
What is the InChIKey of N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane?
The InChIKey is GRAFOPLWXSKQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.2C2H6/c1-11-5-6-12(13(15-11)9-16(3)4)14(2)7-8-17-10-14;2*1-2/h5-6,13,15H,7-10H2,1-4H3;2*1-2H3.
What are the key properties of N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane?
N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane has a molecular weight of 296.50 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-methyl-3-(3-methyloxolan-3-yl)-1,2-dihydropyridin-2-yl]methanamine;ethane is sourced from PubChem (CID 164926946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).