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

C10H19NO3 — CID 115336009

IUPACN-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC1COCCO1
InChIInChI=1S/C10H19NO3/c1-8-10(2-3-13-8)11-6-9-7-12-4-5-14-9/h8-11H,2-7H2,1H3
InChIKeyYGZJCEXEUVWYNH-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.17
Rot. Bonds3

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

N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine (PubChem CID 115336009) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
PubChem CID115336009
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC1COCCO1
InChIInChI=1S/C10H19NO3/c1-8-10(2-3-13-8)11-6-9-7-12-4-5-14-9/h8-11H,2-7H2,1H3
InChIKeyYGZJCEXEUVWYNH-UHFFFAOYSA-N
XLogP0.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyloxan-4-amine
CID 61755910
N-propyl-3-(2,2,2-trifluoroethoxy)oxan-4-amine
CID 61754494
N-ethyl-3-(2,2,2-trifluoroethoxy)oxan-4-amine
CID 61755895
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
CID 66275871
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
CID 66276304
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]oxan-4-amine
CID 66276616
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
CID 66277822
3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine
CID 82004456
3-(2,2-difluoroethoxy)-N-propyloxan-4-amine
CID 82005049
N-(3-fluoropropyl)-2-methyloxolan-3-amine
CID 82724932
N-methyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine
CID 82788367
N-ethyl-3-(4,4,4-trifluorobutoxy)oxan-4-amine
CID 82789600

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine (CID 115336009) is N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine is CC1OCCC1NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine?
The InChIKey is YGZJCEXEUVWYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-10(2-3-13-8)11-6-9-7-12-4-5-14-9/h8-11H,2-7H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine?
N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine has a molecular weight of 201.27 g/mol, XLogP of 0.17, 3 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)-2-methyloxolan-3-amine is sourced from PubChem (CID 115336009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).