N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine

C13H27NO2 — CID 738468

IUPACN,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine
SMILESC[C@@H]1CC(C)(C)O[C@@H](C(C)(C)CN(C)C)O1
InChIInChI=1S/C13H27NO2/c1-10-8-13(4,5)16-11(15-10)12(2,3)9-14(6)7/h10-11H,8-9H2,1-7H3/t10-,11+/m1/s1
InChIKeyISIJXVZVUKMGND-MNOVXSKESA-N
MW229.36 g/mol
LogP2.50
Rot. Bonds3

About N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine

N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine (PubChem CID 738468) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine
PubChem CID738468
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine
SMILESC[C@@H]1CC(C)(C)O[C@@H](C(C)(C)CN(C)C)O1
InChIInChI=1S/C13H27NO2/c1-10-8-13(4,5)16-11(15-10)12(2,3)9-14(6)7/h10-11H,8-9H2,1-7H3/t10-,11+/m1/s1
InChIKeyISIJXVZVUKMGND-MNOVXSKESA-N
XLogP2.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine?
The IUPAC name of N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine (CID 738468) is N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine?
The canonical SMILES for N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine is C[C@@H]1CC(C)(C)O[C@@H](C(C)(C)CN(C)C)O1.
What is the InChIKey of N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine?
The InChIKey is ISIJXVZVUKMGND-MNOVXSKESA-N. The full InChI is InChI=1S/C13H27NO2/c1-10-8-13(4,5)16-11(15-10)12(2,3)9-14(6)7/h10-11H,8-9H2,1-7H3/t10-,11+/m1/s1.
What are the key properties of N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine?
N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine is sourced from PubChem (CID 738468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).