1,3,4,5,6-pentaaminohexan-2-ol

C6H19N5O — CID 57100316

IUPAC1,3,4,5,6-pentaaminohexan-2-ol
SMILESNCC(N)C(N)C(N)C(O)CN
InChIInChI=1S/C6H19N5O/c7-1-3(9)5(10)6(11)4(12)2-8/h3-6,12H,1-2,7-11H2
InChIKeyTVVIWMRTJIBAQP-UHFFFAOYSA-N
MW177.25 g/mol
LogP-3.75
Rot. Bonds5

About 1,3,4,5,6-pentaaminohexan-2-ol

1,3,4,5,6-pentaaminohexan-2-ol (PubChem CID 57100316) has the molecular formula C6H19N5O and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,3,4,5,6-pentaaminohexan-2-ol.

Molecular Properties

Compound Name1,3,4,5,6-pentaaminohexan-2-ol
PubChem CID57100316
Molecular FormulaC6H19N5O
Molecular Weight177.25 g/mol
Exact Mass177.16
IUPAC Name1,3,4,5,6-pentaaminohexan-2-ol
SMILESNCC(N)C(N)C(N)C(O)CN
InChIInChI=1S/C6H19N5O/c7-1-3(9)5(10)6(11)4(12)2-8/h3-6,12H,1-2,7-11H2
InChIKeyTVVIWMRTJIBAQP-UHFFFAOYSA-N
XLogP-3.75
TPSA150.33 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500177.25
LogP ≤ 5-3.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,3,5,7-pentaaminoheptane-2,4,6-triol
CID 121458947
(2S)-1,2-diaminopentan-3-ol
CID 129142351
4,6-diamino-3,5-dihydroxyhexan-2-one
CID 134382190
disodium;1,2-diaminoethanol;hydride
CID 175201156
1,2-diaminohexane-3,4-diol
CID 57132033
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845
1,3-diaminoheptan-2-ol
CID 23346836
magnesium;(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;hydride
CID 173212793
1-aminohex-5-ene-2,3,4-triol
CID 75252970
(1S)-1,4,5-triaminopentan-1-ol
CID 88903954
(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
CID 22863347
3,4-diamino-1-phenylbutan-2-ol
CID 66646271

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6-pentaaminohexan-2-ol?
The IUPAC name of 1,3,4,5,6-pentaaminohexan-2-ol (CID 57100316) is 1,3,4,5,6-pentaaminohexan-2-ol.
What is the SMILES notation for 1,3,4,5,6-pentaaminohexan-2-ol?
The canonical SMILES for 1,3,4,5,6-pentaaminohexan-2-ol is NCC(N)C(N)C(N)C(O)CN.
What is the InChIKey of 1,3,4,5,6-pentaaminohexan-2-ol?
The InChIKey is TVVIWMRTJIBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H19N5O/c7-1-3(9)5(10)6(11)4(12)2-8/h3-6,12H,1-2,7-11H2.
What are the key properties of 1,3,4,5,6-pentaaminohexan-2-ol?
1,3,4,5,6-pentaaminohexan-2-ol has a molecular weight of 177.25 g/mol, XLogP of -3.75, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6-pentaaminohexan-2-ol is sourced from PubChem (CID 57100316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).