N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine

C10H21NO2 — CID 12894460

IUPACN,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine
SMILESCNCC(C)(C)C1OCCC(C)O1
InChIInChI=1S/C10H21NO2/c1-8-5-6-12-9(13-8)10(2,3)7-11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyOWMVGGOIZWZTHY-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.38
Rot. Bonds3

About N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine

N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine (PubChem CID 12894460) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine
PubChem CID12894460
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine
SMILESCNCC(C)(C)C1OCCC(C)O1
InChIInChI=1S/C10H21NO2/c1-8-5-6-12-9(13-8)10(2,3)7-11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyOWMVGGOIZWZTHY-UHFFFAOYSA-N
XLogP1.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine (CID 12894460) is N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine is CNCC(C)(C)C1OCCC(C)O1.
What is the InChIKey of N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine?
The InChIKey is OWMVGGOIZWZTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8-5-6-12-9(13-8)10(2,3)7-11-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine?
N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)propan-1-amine is sourced from PubChem (CID 12894460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).