N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine

C11H23NO2 — CID 138749047

IUPACN,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine
SMILESCCCC1(C)OCC(CN(C)C)CO1
InChIInChI=1S/C11H23NO2/c1-5-6-11(2)13-8-10(9-14-11)7-12(3)4/h10H,5-9H2,1-4H3
InChIKeySFWVWZSIXBQXRT-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.73
Rot. Bonds4

About N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine

N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine (PubChem CID 138749047) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine
PubChem CID138749047
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine
SMILESCCCC1(C)OCC(CN(C)C)CO1
InChIInChI=1S/C11H23NO2/c1-5-6-11(2)13-8-10(9-14-11)7-12(3)4/h10H,5-9H2,1-4H3
InChIKeySFWVWZSIXBQXRT-UHFFFAOYSA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine (CID 138749047) is N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine is CCCC1(C)OCC(CN(C)C)CO1.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine?
The InChIKey is SFWVWZSIXBQXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-6-11(2)13-8-10(9-14-11)7-12(3)4/h10H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine?
N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine has a molecular weight of 201.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine is sourced from PubChem (CID 138749047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).