[(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol

C16H28N2O — CID 162940072

IUPAC[(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol
SMILESOC[C@H]1[C@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN21
InChIInChI=1S/C16H28N2O/c19-11-16-13-9-12(14-5-2-4-8-18(14)16)10-17-7-3-1-6-15(13)17/h12-16,19H,1-11H2/t12-,13+,14-,15+,16+/m1/s1
InChIKeyARXKUSWEPIURJP-LEOABGAYSA-N
MW264.41 g/mol
LogP1.71
Rot. Bonds1

About [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol

[(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol (PubChem CID 162940072) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol
PubChem CID162940072
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name[(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol
SMILESOC[C@H]1[C@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN21
InChIInChI=1S/C16H28N2O/c19-11-16-13-9-12(14-5-2-4-8-18(14)16)10-17-7-3-1-6-15(13)17/h12-16,19H,1-11H2/t12-,13+,14-,15+,16+/m1/s1
InChIKeyARXKUSWEPIURJP-LEOABGAYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol?
The IUPAC name of [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol (CID 162940072) is [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol.
What is the SMILES notation for [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol?
The canonical SMILES for [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol is OC[C@H]1[C@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN21.
What is the InChIKey of [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol?
The InChIKey is ARXKUSWEPIURJP-LEOABGAYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-11-16-13-9-12(14-5-2-4-8-18(14)16)10-17-7-3-1-6-15(13)17/h12-16,19H,1-11H2/t12-,13+,14-,15+,16+/m1/s1.
What are the key properties of [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol?
[(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol has a molecular weight of 264.41 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol is sourced from PubChem (CID 162940072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).