(2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine

C12H23N — CID 130979819

IUPAC(2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine
SMILESC[C@]12CCCC[C@]1(C)C[C@H](N)CC2
InChIInChI=1S/C12H23N/c1-11-6-3-4-7-12(11,2)9-10(13)5-8-11/h10H,3-9,13H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyDWNFXRRVVBMTNX-IJLUTSLNSA-N
MW181.32 g/mol
LogP3.08
Rot. Bonds

About (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine

(2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine (PubChem CID 130979819) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine
PubChem CID130979819
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine
SMILESC[C@]12CCCC[C@]1(C)C[C@H](N)CC2
InChIInChI=1S/C12H23N/c1-11-6-3-4-7-12(11,2)9-10(13)5-8-11/h10H,3-9,13H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyDWNFXRRVVBMTNX-IJLUTSLNSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine?
The IUPAC name of (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine (CID 130979819) is (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine.
What is the SMILES notation for (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine?
The canonical SMILES for (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine is C[C@]12CCCC[C@]1(C)C[C@H](N)CC2.
What is the InChIKey of (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine?
The InChIKey is DWNFXRRVVBMTNX-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H23N/c1-11-6-3-4-7-12(11,2)9-10(13)5-8-11/h10H,3-9,13H2,1-2H3/t10-,11-,12-/m1/s1.
What are the key properties of (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine?
(2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine is sourced from PubChem (CID 130979819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).