N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine

C9H16N2 — CID 59334807

IUPACN-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine
SMILESC=C(NC)C1=CCN(C)CC1
InChIInChI=1S/C9H16N2/c1-8(10-2)9-4-6-11(3)7-5-9/h4,10H,1,5-7H2,2-3H3
InChIKeyVCDFNOFIPOAZAS-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.98
Rot. Bonds2

About N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine

N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine (PubChem CID 59334807) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine
PubChem CID59334807
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine
SMILESC=C(NC)C1=CCN(C)CC1
InChIInChI=1S/C9H16N2/c1-8(10-2)9-4-6-11(3)7-5-9/h4,10H,1,5-7H2,2-3H3
InChIKeyVCDFNOFIPOAZAS-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine?
The IUPAC name of N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine (CID 59334807) is N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine.
What is the SMILES notation for N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine?
The canonical SMILES for N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine is C=C(NC)C1=CCN(C)CC1.
What is the InChIKey of N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine?
The InChIKey is VCDFNOFIPOAZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(10-2)9-4-6-11(3)7-5-9/h4,10H,1,5-7H2,2-3H3.
What are the key properties of N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine?
N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine has a molecular weight of 152.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethenamine is sourced from PubChem (CID 59334807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).