1,1-diaminooctan-1-ol

C8H20N2O — CID 20507531

IUPAC1,1-diaminooctan-1-ol
SMILESCCCCCCCC(N)(N)O
InChIInChI=1S/C8H20N2O/c1-2-3-4-5-6-7-8(9,10)11/h11H,2-7,9-10H2,1H3
InChIKeyXSHYUQIUHFVPKE-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.91
Rot. Bonds6

About 1,1-diaminooctan-1-ol

1,1-diaminooctan-1-ol (PubChem CID 20507531) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,1-diaminooctan-1-ol.

Molecular Properties

Compound Name1,1-diaminooctan-1-ol
PubChem CID20507531
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1,1-diaminooctan-1-ol
SMILESCCCCCCCC(N)(N)O
InChIInChI=1S/C8H20N2O/c1-2-3-4-5-6-7-8(9,10)11/h11H,2-7,9-10H2,1H3
InChIKeyXSHYUQIUHFVPKE-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminoundecane-1,1-diol
CID 21111671
9-amino-10-hexyl-10-octyloctadecan-9-ol
CID 141310311
2-amino-3,3-dimethyltridecan-2-ol
CID 175034140
2-amino-3,3-dimethylicosan-2-ol
CID 18539595
tetracosane-6,6-diamine
CID 154005419
11-decylhenicosan-11-amine
CID 19847882
7-hexylhexadecan-7-ol
CID 141253911
nonane-1,1,1-triamine
CID 18954154
tritriacontane-15,15,16,16-tetrol
CID 19863089
docosane-10,10-diol
CID 20528880
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436

Frequently Asked Questions

What is the IUPAC name of 1,1-diaminooctan-1-ol?
The IUPAC name of 1,1-diaminooctan-1-ol (CID 20507531) is 1,1-diaminooctan-1-ol.
What is the SMILES notation for 1,1-diaminooctan-1-ol?
The canonical SMILES for 1,1-diaminooctan-1-ol is CCCCCCCC(N)(N)O.
What is the InChIKey of 1,1-diaminooctan-1-ol?
The InChIKey is XSHYUQIUHFVPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-2-3-4-5-6-7-8(9,10)11/h11H,2-7,9-10H2,1H3.
What are the key properties of 1,1-diaminooctan-1-ol?
1,1-diaminooctan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diaminooctan-1-ol is sourced from PubChem (CID 20507531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).