octoxymethanediamine

C9H22N2O — CID 142625053

IUPACoctoxymethanediamine
SMILESCCCCCCCCOC(N)N
InChIInChI=1S/C9H22N2O/c1-2-3-4-5-6-7-8-12-9(10)11/h9H,2-8,10-11H2,1H3
InChIKeyKXRIJTFZHYMODP-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.56
Rot. Bonds8

About octoxymethanediamine

octoxymethanediamine (PubChem CID 142625053) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is octoxymethanediamine.

Molecular Properties

Compound Nameoctoxymethanediamine
PubChem CID142625053
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameoctoxymethanediamine
SMILESCCCCCCCCOC(N)N
InChIInChI=1S/C9H22N2O/c1-2-3-4-5-6-7-8-12-9(10)11/h9H,2-8,10-11H2,1H3
InChIKeyKXRIJTFZHYMODP-UHFFFAOYSA-N
XLogP1.56
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
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-pentoxyethanamine
CID 57262541
1-tetradecoxypropan-1-amine;hydrobromide
CID 173193932
2-amino-2-tridecoxyethanol
CID 121414991
2-octoxypentan-3-amine
CID 43127877
1-(difluoromethoxy)decane
CID 14400535
3-pentoxybutan-2-amine
CID 61352378
1-amino-1-octoxypropan-2-ol
CID 174604466
icosoxymethanediol
CID 175975847
1-pentan-3-yloxydecane
CID 173279604
didodecoxymethylsilane
CID 172799979
1-heptacontoxyethanol
CID 169098461
6-octoxyundecane
CID 20520524

Frequently Asked Questions

What is the IUPAC name of octoxymethanediamine?
The IUPAC name of octoxymethanediamine (CID 142625053) is octoxymethanediamine.
What is the SMILES notation for octoxymethanediamine?
The canonical SMILES for octoxymethanediamine is CCCCCCCCOC(N)N.
What is the InChIKey of octoxymethanediamine?
The InChIKey is KXRIJTFZHYMODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-2-3-4-5-6-7-8-12-9(10)11/h9H,2-8,10-11H2,1H3.
What are the key properties of octoxymethanediamine?
octoxymethanediamine has a molecular weight of 174.29 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octoxymethanediamine is sourced from PubChem (CID 142625053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).