N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine

C11H19NO2 — CID 86594335

IUPACN-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine
SMILESCNC1CC2CCC(C1)C21OCCO1
InChIInChI=1S/C11H19NO2/c1-12-10-6-8-2-3-9(7-10)11(8)13-4-5-14-11/h8-10,12H,2-7H2,1H3
InChIKeyANKQJQZNZKHECC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.14
Rot. Bonds1

About N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine

N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine (PubChem CID 86594335) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine.

Molecular Properties

Compound NameN-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine
PubChem CID86594335
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine
SMILESCNC1CC2CCC(C1)C21OCCO1
InChIInChI=1S/C11H19NO2/c1-12-10-6-8-2-3-9(7-10)11(8)13-4-5-14-11/h8-10,12H,2-7H2,1H3
InChIKeyANKQJQZNZKHECC-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine?
The IUPAC name of N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine (CID 86594335) is N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine.
What is the SMILES notation for N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine?
The canonical SMILES for N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine is CNC1CC2CCC(C1)C21OCCO1.
What is the InChIKey of N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine?
The InChIKey is ANKQJQZNZKHECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-10-6-8-2-3-9(7-10)11(8)13-4-5-14-11/h8-10,12H,2-7H2,1H3.
What are the key properties of N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine?
N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine has a molecular weight of 197.28 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine is sourced from PubChem (CID 86594335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).