(R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol

C16H29NO — CID 11831888

IUPAC(R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol
SMILESCN(C)[C@@H]1C=CCC[C@]1(C)[C@H](O)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-16(12-8-7-11-14(16)17(2)3)15(18)13-9-5-4-6-10-13/h7,11,13-15,18H,4-6,8-10,12H2,1-3H3/t14-,15-,16+/m1/s1
InChIKeyDNMCLLDLONPSEW-OAGGEKHMSA-N
MW251.41 g/mol
LogP3.21
Rot. Bonds3

About (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol

(R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol (PubChem CID 11831888) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name(R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol
PubChem CID11831888
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol
SMILESCN(C)[C@@H]1C=CCC[C@]1(C)[C@H](O)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-16(12-8-7-11-14(16)17(2)3)15(18)13-9-5-4-6-10-13/h7,11,13-15,18H,4-6,8-10,12H2,1-3H3/t14-,15-,16+/m1/s1
InChIKeyDNMCLLDLONPSEW-OAGGEKHMSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S,4S)-1,3,3-trimethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-4-ol
CID 10387953
4-[2-(Dimethylamino)-1-(1-methylcyclohexyl)ethyl]cyclohex-2-en-1-ol
CID 68331455
(1S,8S,8aS)-6-(diethylamino)-8-methyl-8a-prop-2-enyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
CID 68966775
(1S,8S,8aS)-6-(diethylamino)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
CID 68969303
[(12Z,15Z)-3-hydroxy-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]henicosa-12,15-dienyl]-trimethylazanium chloride
CID 134205135
[(12Z,15Z)-3-hydroxy-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]henicosa-12,15-dienyl]-trimethylazanium
CID 134205136
(6Z,9Z,29Z,32Z)-20-[(dimethylamino)methyl]-20-[(9Z,12Z)-octadeca-9,12-dienyl]octatriaconta-6,9,29,32-tetraen-19-ol
CID 134205191
[3-hydroxy-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]henicosa-12,15-dienyl]-trimethylazanium chloride
CID 142740640
(2R,4S)-1-tert-butyl-2-(1-methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 156469941
[1-[[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]methyl]cyclohexyl]methanol
CID 164814071

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol?
The IUPAC name of (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol (CID 11831888) is (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol is CN(C)[C@@H]1C=CCC[C@]1(C)[C@H](O)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol?
The InChIKey is DNMCLLDLONPSEW-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H29NO/c1-16(12-8-7-11-14(16)17(2)3)15(18)13-9-5-4-6-10-13/h7,11,13-15,18H,4-6,8-10,12H2,1-3H3/t14-,15-,16+/m1/s1.
What are the key properties of (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol?
(R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol has a molecular weight of 251.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[(1S,2R)-2-(dimethylamino)-1-methylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 11831888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).