[1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol

C23H44N2O — CID 67960827

IUPAC[1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)=CCC[C@@H](C)CCNCC1CCC(CN2CCCC2CO)CC1
InChIInChI=1S/C23H44N2O/c1-19(2)6-4-7-20(3)13-14-24-16-21-9-11-22(12-10-21)17-25-15-5-8-23(25)18-26/h6,20-24,26H,4-5,7-18H2,1-3H3/t20-,21?,22?,23?/m1/s1
InChIKeyPGLKHGSEOXQWKC-DDASEGNLSA-N
MW364.62 g/mol
LogP4.61
Rot. Bonds11

About [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol

[1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 67960827) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID67960827
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name[1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)=CCC[C@@H](C)CCNCC1CCC(CN2CCCC2CO)CC1
InChIInChI=1S/C23H44N2O/c1-19(2)6-4-7-20(3)13-14-24-16-21-9-11-22(12-10-21)17-25-15-5-8-23(25)18-26/h6,20-24,26H,4-5,7-18H2,1-3H3/t20-,21?,22?,23?/m1/s1
InChIKeyPGLKHGSEOXQWKC-DDASEGNLSA-N
XLogP4.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol (CID 67960827) is [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol is CC(C)=CCC[C@@H](C)CCNCC1CCC(CN2CCCC2CO)CC1.
What is the InChIKey of [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is PGLKHGSEOXQWKC-DDASEGNLSA-N. The full InChI is InChI=1S/C23H44N2O/c1-19(2)6-4-7-20(3)13-14-24-16-21-9-11-22(12-10-21)17-25-15-5-8-23(25)18-26/h6,20-24,26H,4-5,7-18H2,1-3H3/t20-,21?,22?,23?/m1/s1.
What are the key properties of [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 364.62 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[[[(3R)-3,7-dimethyloct-6-enyl]amino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 67960827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).