N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C13H25NO3 — CID 64852318

IUPACN-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2COCCO2)C1(C)C
InChIInChI=1S/C13H25NO3/c1-4-16-12-7-11(13(12,2)3)14-8-10-9-15-5-6-17-10/h10-12,14H,4-9H2,1-3H3
InChIKeyOCSFTXNNSGHSEM-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.20
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 64852318) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID64852318
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC2COCCO2)C1(C)C
InChIInChI=1S/C13H25NO3/c1-4-16-12-7-11(13(12,2)3)14-8-10-9-15-5-6-17-10/h10-12,14H,4-9H2,1-3H3
InChIKeyOCSFTXNNSGHSEM-UHFFFAOYSA-N
XLogP1.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 64852318) is N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCC2COCCO2)C1(C)C.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is OCSFTXNNSGHSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-16-12-7-11(13(12,2)3)14-8-10-9-15-5-6-17-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64852318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).