5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol

C20H35NO — CID 101471980

IUPAC5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol
SMILESCCCCC(O)(CCCC)[C@H](Cc1ccccc1)NC(C)C
InChIInChI=1S/C20H35NO/c1-5-7-14-20(22,15-8-6-2)19(21-17(3)4)16-18-12-10-9-11-13-18/h9-13,17,19,21-22H,5-8,14-16H2,1-4H3/t19-/m0/s1
InChIKeyPDVMVVKQFVJKQZ-IBGZPJMESA-N
MW305.51 g/mol
LogP4.71
Rot. Bonds11

About 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol

5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol (PubChem CID 101471980) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol.

Molecular Properties

Compound Name5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol
PubChem CID101471980
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol
SMILESCCCCC(O)(CCCC)[C@H](Cc1ccccc1)NC(C)C
InChIInChI=1S/C20H35NO/c1-5-7-14-20(22,15-8-6-2)19(21-17(3)4)16-18-12-10-9-11-13-18/h9-13,17,19,21-22H,5-8,14-16H2,1-4H3/t19-/m0/s1
InChIKeyPDVMVVKQFVJKQZ-IBGZPJMESA-N
XLogP4.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol?
The IUPAC name of 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol (CID 101471980) is 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol.
What is the SMILES notation for 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol?
The canonical SMILES for 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol is CCCCC(O)(CCCC)[C@H](Cc1ccccc1)NC(C)C.
What is the InChIKey of 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol?
The InChIKey is PDVMVVKQFVJKQZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H35NO/c1-5-7-14-20(22,15-8-6-2)19(21-17(3)4)16-18-12-10-9-11-13-18/h9-13,17,19,21-22H,5-8,14-16H2,1-4H3/t19-/m0/s1.
What are the key properties of 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol?
5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol has a molecular weight of 305.51 g/mol, XLogP of 4.71, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2-phenyl-1-(propan-2-ylamino)ethyl]nonan-5-ol is sourced from PubChem (CID 101471980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).