(1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine

C12H18N2O2 — CID 71587215

IUPAC(1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine
SMILESCN(C)[C@@H](c1cccnc1)C1COCOC1
InChIInChI=1S/C12H18N2O2/c1-14(2)12(10-4-3-5-13-6-10)11-7-15-9-16-8-11/h3-6,11-12H,7-9H2,1-2H3/t12-/m0/s1
InChIKeySMZVRZPJXBGNFT-LBPRGKRZSA-N
MW222.29 g/mol
LogP1.30
Rot. Bonds3

About (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine

(1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine (PubChem CID 71587215) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine
PubChem CID71587215
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine
SMILESCN(C)[C@@H](c1cccnc1)C1COCOC1
InChIInChI=1S/C12H18N2O2/c1-14(2)12(10-4-3-5-13-6-10)11-7-15-9-16-8-11/h3-6,11-12H,7-9H2,1-2H3/t12-/m0/s1
InChIKeySMZVRZPJXBGNFT-LBPRGKRZSA-N
XLogP1.30
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine?
The IUPAC name of (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine (CID 71587215) is (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine is CN(C)[C@@H](c1cccnc1)C1COCOC1.
What is the InChIKey of (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine?
The InChIKey is SMZVRZPJXBGNFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(2)12(10-4-3-5-13-6-10)11-7-15-9-16-8-11/h3-6,11-12H,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine?
(1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine has a molecular weight of 222.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 71587215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).