(6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine

C17H29NO — CID 142380825

IUPAC(6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine
SMILESCCCC[C@@]1(C)C[C@@H](C)Cc2ccc(O)cc21.CN
InChIInChI=1S/C16H24O.CH5N/c1-4-5-8-16(3)11-12(2)9-13-6-7-14(17)10-15(13)16;1-2/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3;2H2,1H3/t12-,16-;/m0./s1
InChIKeyODIIEIILIKIMTI-MIRNQTQTSA-N
MW263.42 g/mol
LogP4.00
Rot. Bonds3

About (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine

(6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine (PubChem CID 142380825) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine.

Molecular Properties

Compound Name(6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine
PubChem CID142380825
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine
SMILESCCCC[C@@]1(C)C[C@@H](C)Cc2ccc(O)cc21.CN
InChIInChI=1S/C16H24O.CH5N/c1-4-5-8-16(3)11-12(2)9-13-6-7-14(17)10-15(13)16;1-2/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3;2H2,1H3/t12-,16-;/m0./s1
InChIKeyODIIEIILIKIMTI-MIRNQTQTSA-N
XLogP4.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine?
The IUPAC name of (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine (CID 142380825) is (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine.
What is the SMILES notation for (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine?
The canonical SMILES for (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine is CCCC[C@@]1(C)C[C@@H](C)Cc2ccc(O)cc21.CN.
What is the InChIKey of (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine?
The InChIKey is ODIIEIILIKIMTI-MIRNQTQTSA-N. The full InChI is InChI=1S/C16H24O.CH5N/c1-4-5-8-16(3)11-12(2)9-13-6-7-14(17)10-15(13)16;1-2/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3;2H2,1H3/t12-,16-;/m0./s1.
What are the key properties of (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine?
(6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine has a molecular weight of 263.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine is sourced from PubChem (CID 142380825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).