1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol

C8H19NO2 — CID 106932604

IUPAC1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol
SMILESCCC(O)CCNC[C@@H](C)O
InChIInChI=1S/C8H19NO2/c1-3-8(11)4-5-9-6-7(2)10/h7-11H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyNFMUJJGWNXPEJE-GVHYBUMESA-N
MW161.25 g/mol
LogP0.12
Rot. Bonds6

About 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol

1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol (PubChem CID 106932604) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol.

Molecular Properties

Compound Name1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol
PubChem CID106932604
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol
SMILESCCC(O)CCNC[C@@H](C)O
InChIInChI=1S/C8H19NO2/c1-3-8(11)4-5-9-6-7(2)10/h7-11H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyNFMUJJGWNXPEJE-GVHYBUMESA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylbutylamino)pentan-3-ol
CID 115887931
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
1-(pentylamino)propan-2-ol
CID 3016247
2-(3-hydroxypentylamino)acetic acid
CID 91143486
1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
1-(pentylamino)propan-2-ol;hydrate
CID 173220039
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593762

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol?
The IUPAC name of 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol (CID 106932604) is 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol.
What is the SMILES notation for 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol?
The canonical SMILES for 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol is CCC(O)CCNC[C@@H](C)O.
What is the InChIKey of 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol?
The InChIKey is NFMUJJGWNXPEJE-GVHYBUMESA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-8(11)4-5-9-6-7(2)10/h7-11H,3-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol?
1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol has a molecular weight of 161.25 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol is sourced from PubChem (CID 106932604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).