(2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol

C13H25NO — CID 11921190

IUPAC(2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C13H25NO/c1-10(15)9-14-13-7-6-11-4-2-3-5-12(11)8-13/h10-15H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
InChIKeyKECTVXVORSLESR-WUHRBBMRSA-N
MW211.35 g/mol
LogP2.32
Rot. Bonds3

About (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol

(2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol (PubChem CID 11921190) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol
PubChem CID11921190
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C13H25NO/c1-10(15)9-14-13-7-6-11-4-2-3-5-12(11)8-13/h10-15H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
InChIKeyKECTVXVORSLESR-WUHRBBMRSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol (CID 11921190) is (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol is C[C@H](O)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1.
What is the InChIKey of (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol?
The InChIKey is KECTVXVORSLESR-WUHRBBMRSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(15)9-14-13-7-6-11-4-2-3-5-12(11)8-13/h10-15H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1.
What are the key properties of (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol?
(2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]propan-2-ol is sourced from PubChem (CID 11921190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).