(1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol

C19H33NO — CID 11737875

IUPAC(1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2CC[C@@]3(C=CCCC3)C2)[C@H](O)C1
InChIInChI=1S/C19H33NO/c1-15-7-8-16(17(21)13-15)18(2,3)20-12-11-19(14-20)9-5-4-6-10-19/h5,9,15-17,21H,4,6-8,10-14H2,1-3H3/t15-,16-,17-,19+/m1/s1
InChIKeyVWOMPSHAYOVSCY-MTNOOBJLSA-N
MW291.48 g/mol
LogP3.99
Rot. Bonds2

About (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 11737875) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID11737875
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2CC[C@@]3(C=CCCC3)C2)[C@H](O)C1
InChIInChI=1S/C19H33NO/c1-15-7-8-16(17(21)13-15)18(2,3)20-12-11-19(14-20)9-5-4-6-10-19/h5,9,15-17,21H,4,6-8,10-14H2,1-3H3/t15-,16-,17-,19+/m1/s1
InChIKeyVWOMPSHAYOVSCY-MTNOOBJLSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol with MolForge

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Related Compounds

14-Methyl-14-azadispiro[5.1.5^{8}.2^{6}]pentadec-9-en-7-ol
CID 370367
(1R,2S,5R)-2-[2-[(3aS,5S,7aS)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10518701
(1R,2S,5R)-2-[2-[(3aS,5R,7aR)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10566524
(1R,2S,5R)-2-[2-[(3aR,5R,7aR)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10590724
(1R,2S,5R)-2-[2-[(3aR,5S,7aS)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10756996
(1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11207827
(1R,2S,5R)-2-[2-[(3S,4S)-3-ethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11220108
(1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 11231308
(3S,6Z)-1-[2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]propan-2-yl]-3-propan-2-yl-2,4,5,8-tetrahydroazocin-3-ol
CID 11427289
(1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11483240
2-(1-Cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclohexan-1-ol
CID 114620908

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol (CID 11737875) is (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)N2CC[C@@]3(C=CCCC3)C2)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is VWOMPSHAYOVSCY-MTNOOBJLSA-N. The full InChI is InChI=1S/C19H33NO/c1-15-7-8-16(17(21)13-15)18(2,3)20-12-11-19(14-20)9-5-4-6-10-19/h5,9,15-17,21H,4,6-8,10-14H2,1-3H3/t15-,16-,17-,19+/m1/s1.
What are the key properties of (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-[2-[(5S)-2-azaspiro[4.5]dec-6-en-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 11737875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).