(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine

C12H21NO2 — CID 10013382

IUPAC(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine
SMILESNC1CC[C@@H]2CC3(CC[C@H]2C1)OCCO3
InChIInChI=1S/C12H21NO2/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h9-11H,1-8,13H2/t9-,10+,11?/m0/s1
InChIKeyYHXABAIDRPJDMZ-MTULOOOASA-N
MW211.30 g/mol
LogP1.66
Rot. Bonds

About (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine

(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine (PubChem CID 10013382) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine.

Molecular Properties

Compound Name(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine
PubChem CID10013382
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine
SMILESNC1CC[C@@H]2CC3(CC[C@H]2C1)OCCO3
InChIInChI=1S/C12H21NO2/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h9-11H,1-8,13H2/t9-,10+,11?/m0/s1
InChIKeyYHXABAIDRPJDMZ-MTULOOOASA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine?
The IUPAC name of (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine (CID 10013382) is (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine.
What is the SMILES notation for (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine?
The canonical SMILES for (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine is NC1CC[C@@H]2CC3(CC[C@H]2C1)OCCO3.
What is the InChIKey of (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine?
The InChIKey is YHXABAIDRPJDMZ-MTULOOOASA-N. The full InChI is InChI=1S/C12H21NO2/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h9-11H,1-8,13H2/t9-,10+,11?/m0/s1.
What are the key properties of (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine?
(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine has a molecular weight of 211.30 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-amine is sourced from PubChem (CID 10013382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).