(2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol

C17H33NO — CID 102423684

IUPAC(2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol
SMILESCC(C)[C@@H]1CC[C@H]2CC[C@H](CCCCC[C@@H](C)O)N21
InChIInChI=1S/C17H33NO/c1-13(2)17-12-11-16-10-9-15(18(16)17)8-6-4-5-7-14(3)19/h13-17,19H,4-12H2,1-3H3/t14-,15+,16-,17+/m1/s1
InChIKeyBEIDNAGKFGOMTP-TWMKSMIVSA-N
MW267.46 g/mol
LogP3.97
Rot. Bonds7

About (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol

(2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol (PubChem CID 102423684) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol.

Molecular Properties

Compound Name(2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol
PubChem CID102423684
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol
SMILESCC(C)[C@@H]1CC[C@H]2CC[C@H](CCCCC[C@@H](C)O)N21
InChIInChI=1S/C17H33NO/c1-13(2)17-12-11-16-10-9-15(18(16)17)8-6-4-5-7-14(3)19/h13-17,19H,4-12H2,1-3H3/t14-,15+,16-,17+/m1/s1
InChIKeyBEIDNAGKFGOMTP-TWMKSMIVSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol with MolForge

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Related Compounds

(S)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049951
(R)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049952
(S)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049954
(R)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049955
2-Hydroxymethylpyrrolizidine
CID 12335063
[(2R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
CID 92544933
2-Methyl-5-hydroxymethylpyrrolizidine
CID 129782081
7-((3S,5R,7aS)-5-Methylhexahydro-1H-pyrrolizin-3-yl)heptan-2-ol
CID 74932613
7-((3S,5R,7aS)-5-Propylhexahydro-1H-pyrrolizin-3-yl)heptan-2-ol
CID 74932700
[6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
CID 91478268
(2R,7S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
CID 163628838
1,2-Dimethylpyrrolidine;ethane;22-methyltricosan-1-ol
CID 172373065

Frequently Asked Questions

What is the IUPAC name of (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol?
The IUPAC name of (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol (CID 102423684) is (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol.
What is the SMILES notation for (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol?
The canonical SMILES for (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol is CC(C)[C@@H]1CC[C@H]2CC[C@H](CCCCC[C@@H](C)O)N21.
What is the InChIKey of (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol?
The InChIKey is BEIDNAGKFGOMTP-TWMKSMIVSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)17-12-11-16-10-9-15(18(16)17)8-6-4-5-7-14(3)19/h13-17,19H,4-12H2,1-3H3/t14-,15+,16-,17+/m1/s1.
What are the key properties of (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol?
(2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol has a molecular weight of 267.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-[(3S,5S,8R)-5-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol is sourced from PubChem (CID 102423684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).