(2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

C11H21NO — CID 70684950

IUPAC(2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESNC[C@]1(O)CCC2CCCCC2C1
InChIInChI=1S/C11H21NO/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h9-10,13H,1-8,12H2/t9?,10?,11-/m0/s1
InChIKeyMAFDQVWQNYKOJS-ILDUYXDCSA-N
MW183.29 g/mol
LogP1.67
Rot. Bonds1

About (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

(2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (PubChem CID 70684950) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
PubChem CID70684950
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESNC[C@]1(O)CCC2CCCCC2C1
InChIInChI=1S/C11H21NO/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h9-10,13H,1-8,12H2/t9?,10?,11-/m0/s1
InChIKeyMAFDQVWQNYKOJS-ILDUYXDCSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The IUPAC name of (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (CID 70684950) is (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The canonical SMILES for (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is NC[C@]1(O)CCC2CCCCC2C1.
What is the InChIKey of (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The InChIKey is MAFDQVWQNYKOJS-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H21NO/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h9-10,13H,1-8,12H2/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
(2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 70684950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).