6-(propylamino)hexane-1,2,4,5-tetrol

C9H21NO4 — CID 123530064

IUPAC6-(propylamino)hexane-1,2,4,5-tetrol
SMILESCCCNCC(O)C(O)CC(O)CO
InChIInChI=1S/C9H21NO4/c1-2-3-10-5-9(14)8(13)4-7(12)6-11/h7-14H,2-6H2,1H3
InChIKeyACLRPWFGHUTORP-UHFFFAOYSA-N
MW207.27 g/mol
LogP-1.55
Rot. Bonds8

About 6-(propylamino)hexane-1,2,4,5-tetrol

6-(propylamino)hexane-1,2,4,5-tetrol (PubChem CID 123530064) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6-(propylamino)hexane-1,2,4,5-tetrol.

Molecular Properties

Compound Name6-(propylamino)hexane-1,2,4,5-tetrol
PubChem CID123530064
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name6-(propylamino)hexane-1,2,4,5-tetrol
SMILESCCCNCC(O)C(O)CC(O)CO
InChIInChI=1S/C9H21NO4/c1-2-3-10-5-9(14)8(13)4-7(12)6-11/h7-14H,2-6H2,1H3
InChIKeyACLRPWFGHUTORP-UHFFFAOYSA-N
XLogP-1.55
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5R)-hexane-1,2,3,5,6-pentol
CID 6451627
1-chloro-3-(propylamino)propan-2-ol
CID 55301925
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
dodecane-1,2,4,5-tetrol
CID 175058574
1-ethylsulfanyl-3-(propylamino)propan-2-ol
CID 43166422
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014
(2R,4R,5S)-2,4,5,6-tetrahydroxy-1-(propylamino)hexan-3-one
CID 54195280
(2S,3S,4S,5R)-6-(butylamino)hexane-1,2,3,4,5-pentol
CID 16738764
3-(octadec-9-enylamino)propane-1,2-diol
CID 76749826
(2R,3R,4R,5S)-6-(hexylamino)hexane-1,2,3,4,5-pentol;6-(hexylamino)hexane-1,2,3,4,5-pentol
CID 159342301
(2R,3R,4R,5R)-6-(tetradecylamino)hexane-1,2,3,4,5-pentol
CID 154326806
1-(propylamino)hexadecan-2-ol
CID 88695975

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)hexane-1,2,4,5-tetrol?
The IUPAC name of 6-(propylamino)hexane-1,2,4,5-tetrol (CID 123530064) is 6-(propylamino)hexane-1,2,4,5-tetrol.
What is the SMILES notation for 6-(propylamino)hexane-1,2,4,5-tetrol?
The canonical SMILES for 6-(propylamino)hexane-1,2,4,5-tetrol is CCCNCC(O)C(O)CC(O)CO.
What is the InChIKey of 6-(propylamino)hexane-1,2,4,5-tetrol?
The InChIKey is ACLRPWFGHUTORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4/c1-2-3-10-5-9(14)8(13)4-7(12)6-11/h7-14H,2-6H2,1H3.
What are the key properties of 6-(propylamino)hexane-1,2,4,5-tetrol?
6-(propylamino)hexane-1,2,4,5-tetrol has a molecular weight of 207.27 g/mol, XLogP of -1.55, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)hexane-1,2,4,5-tetrol is sourced from PubChem (CID 123530064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).