4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine

C13H26N2 — CID 123336827

IUPAC4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)CC1=CN(C)CCC1C
InChIInChI=1S/C13H26N2/c1-11(5-7-14-3)9-13-10-15(4)8-6-12(13)2/h10-12,14H,5-9H2,1-4H3
InChIKeyPDBRXUPBELLFLX-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.48
Rot. Bonds5

About 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine

4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine (PubChem CID 123336827) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine
PubChem CID123336827
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)CC1=CN(C)CCC1C
InChIInChI=1S/C13H26N2/c1-11(5-7-14-3)9-13-10-15(4)8-6-12(13)2/h10-12,14H,5-9H2,1-4H3
InChIKeyPDBRXUPBELLFLX-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine (CID 123336827) is 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine is CNCCC(C)CC1=CN(C)CCC1C.
What is the InChIKey of 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is PDBRXUPBELLFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(5-7-14-3)9-13-10-15(4)8-6-12(13)2/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine?
4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethyl-3,4-dihydro-2H-pyridin-5-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 123336827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).