(4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol

C13H25NO — CID 102031623

IUPAC(4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol
SMILESCC1(C)CCC[C@]2(O)CCCC[C@]12CN
InChIInChI=1S/C13H25NO/c1-11(2)6-5-9-13(15)8-4-3-7-12(11,13)10-14/h15H,3-10,14H2,1-2H3/t12-,13+/m0/s1
InChIKeyAJVGHUNYXSDYEL-QWHCGFSZSA-N
MW211.35 g/mol
LogP2.45
Rot. Bonds1

About (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol

(4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol (PubChem CID 102031623) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name(4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol
PubChem CID102031623
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol
SMILESCC1(C)CCC[C@]2(O)CCCC[C@]12CN
InChIInChI=1S/C13H25NO/c1-11(2)6-5-9-13(15)8-4-3-7-12(11,13)10-14/h15H,3-10,14H2,1-2H3/t12-,13+/m0/s1
InChIKeyAJVGHUNYXSDYEL-QWHCGFSZSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol with MolForge

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Related Compounds

(2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 70684950
(2R)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 70687143
1-[1-(Aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79123713
(1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101131924
(2R,4aR)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 54061752
(1S,2R,5R)-3-(aminomethyl)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
CID 59574153
3-(Aminomethyl)-1-[1-(aminomethyl)cyclohexyl]-3,5,5-trimethylcyclohexan-1-ol
CID 67562629
(1R,2R,5S)-3-(aminomethyl)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
CID 68429302
(2R,3R,5S)-1-(aminomethyl)-2,3,4,4,5-pentamethylcyclohexan-1-ol
CID 89562773
(1R,2R,3R,5S)-3-(aminomethyl)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
CID 163498575
(1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 166063174
1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 9921105

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol?
The IUPAC name of (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol (CID 102031623) is (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol?
The canonical SMILES for (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol is CC1(C)CCC[C@]2(O)CCCC[C@]12CN.
What is the InChIKey of (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol?
The InChIKey is AJVGHUNYXSDYEL-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)6-5-9-13(15)8-4-3-7-12(11,13)10-14/h15H,3-10,14H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol?
(4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol has a molecular weight of 211.35 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-8a-(aminomethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 102031623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).