1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol

C10H23FN2O — CID 121290171

IUPAC1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
SMILESCCC(O)CCN[C@H](CCN)[C@H](C)F
InChIInChI=1S/C10H23FN2O/c1-3-9(14)5-7-13-10(4-6-12)8(2)11/h8-10,13-14H,3-7,12H2,1-2H3/t8-,9?,10+/m0/s1
InChIKeyLVNSYWPVXCRISJ-DJBFQZMMSA-N
MW206.30 g/mol
LogP0.81
Rot. Bonds8

About 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol

1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol (PubChem CID 121290171) has the molecular formula C10H23FN2O and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol.

Molecular Properties

Compound Name1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
PubChem CID121290171
Molecular FormulaC10H23FN2O
Molecular Weight206.30 g/mol
Exact Mass206.18
IUPAC Name1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
SMILESCCC(O)CCN[C@H](CCN)[C@H](C)F
InChIInChI=1S/C10H23FN2O/c1-3-9(14)5-7-13-10(4-6-12)8(2)11/h8-10,13-14H,3-7,12H2,1-2H3/t8-,9?,10+/m0/s1
InChIKeyLVNSYWPVXCRISJ-DJBFQZMMSA-N
XLogP0.81
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol?
The IUPAC name of 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol (CID 121290171) is 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol.
What is the SMILES notation for 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol?
The canonical SMILES for 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol is CCC(O)CCN[C@H](CCN)[C@H](C)F.
What is the InChIKey of 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol?
The InChIKey is LVNSYWPVXCRISJ-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H23FN2O/c1-3-9(14)5-7-13-10(4-6-12)8(2)11/h8-10,13-14H,3-7,12H2,1-2H3/t8-,9?,10+/m0/s1.
What are the key properties of 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol?
1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol has a molecular weight of 206.30 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol is sourced from PubChem (CID 121290171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).