2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol

C23H32N2O — CID 53234756

IUPAC2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol
SMILESN[C@H](c1ccccc1)[C@H](NC1CCCCCCCC1O)c1ccccc1
InChIInChI=1S/C23H32N2O/c24-22(18-12-6-4-7-13-18)23(19-14-8-5-9-15-19)25-20-16-10-2-1-3-11-17-21(20)26/h4-9,12-15,20-23,25-26H,1-3,10-11,16-17,24H2/t20?,21?,22-,23-/m1/s1
InChIKeyMUXKOYVZLZXTAQ-BWWMBTDCSA-N
MW352.52 g/mol
LogP4.49
Rot. Bonds5

About 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol

2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol (PubChem CID 53234756) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol.

Molecular Properties

Compound Name2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol
PubChem CID53234756
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol
SMILESN[C@H](c1ccccc1)[C@H](NC1CCCCCCCC1O)c1ccccc1
InChIInChI=1S/C23H32N2O/c24-22(18-12-6-4-7-13-18)23(19-14-8-5-9-15-19)25-20-16-10-2-1-3-11-17-21(20)26/h4-9,12-15,20-23,25-26H,1-3,10-11,16-17,24H2/t20?,21?,22-,23-/m1/s1
InChIKeyMUXKOYVZLZXTAQ-BWWMBTDCSA-N
XLogP4.49
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol?
The IUPAC name of 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol (CID 53234756) is 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol.
What is the SMILES notation for 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol?
The canonical SMILES for 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol is N[C@H](c1ccccc1)[C@H](NC1CCCCCCCC1O)c1ccccc1.
What is the InChIKey of 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol?
The InChIKey is MUXKOYVZLZXTAQ-BWWMBTDCSA-N. The full InChI is InChI=1S/C23H32N2O/c24-22(18-12-6-4-7-13-18)23(19-14-8-5-9-15-19)25-20-16-10-2-1-3-11-17-21(20)26/h4-9,12-15,20-23,25-26H,1-3,10-11,16-17,24H2/t20?,21?,22-,23-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol?
2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol has a molecular weight of 352.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol is sourced from PubChem (CID 53234756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).