4,5-diaminooctan-1-ol

C8H20N2O — CID 87063615

IUPAC4,5-diaminooctan-1-ol
SMILESCCCC(N)C(N)CCCO
InChIInChI=1S/C8H20N2O/c1-2-4-7(9)8(10)5-3-6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyVFGJJVKMHAGJAC-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.21
Rot. Bonds6

About 4,5-diaminooctan-1-ol

4,5-diaminooctan-1-ol (PubChem CID 87063615) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 4,5-diaminooctan-1-ol.

Molecular Properties

Compound Name4,5-diaminooctan-1-ol
PubChem CID87063615
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name4,5-diaminooctan-1-ol
SMILESCCCC(N)C(N)CCCO
InChIInChI=1S/C8H20N2O/c1-2-4-7(9)8(10)5-3-6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyVFGJJVKMHAGJAC-UHFFFAOYSA-N
XLogP0.21
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-octane-4,5-diamine
CID 13138963
hexadecane-4,5-diamine
CID 57310882
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
5-hydroxy-2-propylpentanamide
CID 21402979
4-aminopentan-1-ol;hydrochloride
CID 75212867
(2S)-2-amino-3-propylhexan-1-ol
CID 154703433
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
butan-1-ol;methanol
CID 23065762
bromoform;butan-1-ol
CID 87548610
4,6,8,10-tetramethyltridecan-1-ol
CID 172545129

Frequently Asked Questions

What is the IUPAC name of 4,5-diaminooctan-1-ol?
The IUPAC name of 4,5-diaminooctan-1-ol (CID 87063615) is 4,5-diaminooctan-1-ol.
What is the SMILES notation for 4,5-diaminooctan-1-ol?
The canonical SMILES for 4,5-diaminooctan-1-ol is CCCC(N)C(N)CCCO.
What is the InChIKey of 4,5-diaminooctan-1-ol?
The InChIKey is VFGJJVKMHAGJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-2-4-7(9)8(10)5-3-6-11/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 4,5-diaminooctan-1-ol?
4,5-diaminooctan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diaminooctan-1-ol is sourced from PubChem (CID 87063615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).