5-octoxypentane-1,2-diamine

C13H30N2O — CID 20527044

IUPAC5-octoxypentane-1,2-diamine
SMILESCCCCCCCCOCCCC(N)CN
InChIInChI=1S/C13H30N2O/c1-2-3-4-5-6-7-10-16-11-8-9-13(15)12-14/h13H,2-12,14-15H2,1H3
InChIKeyOZSKQRFCFOFYKE-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.43
Rot. Bonds12

About 5-octoxypentane-1,2-diamine

5-octoxypentane-1,2-diamine (PubChem CID 20527044) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 5-octoxypentane-1,2-diamine.

Molecular Properties

Compound Name5-octoxypentane-1,2-diamine
PubChem CID20527044
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name5-octoxypentane-1,2-diamine
SMILESCCCCCCCCOCCCC(N)CN
InChIInChI=1S/C13H30N2O/c1-2-3-4-5-6-7-10-16-11-8-9-13(15)12-14/h13H,2-12,14-15H2,1H3
InChIKeyOZSKQRFCFOFYKE-UHFFFAOYSA-N
XLogP2.43
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-decane-1,2-diamine
CID 102595281
decane-1,2-diamine
CID 517618
1-ethoxynonan-4-amine
CID 105129941
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
5-(2,3-diaminopropoxy)pentane-1,2-diamine
CID 88686744

Frequently Asked Questions

What is the IUPAC name of 5-octoxypentane-1,2-diamine?
The IUPAC name of 5-octoxypentane-1,2-diamine (CID 20527044) is 5-octoxypentane-1,2-diamine.
What is the SMILES notation for 5-octoxypentane-1,2-diamine?
The canonical SMILES for 5-octoxypentane-1,2-diamine is CCCCCCCCOCCCC(N)CN.
What is the InChIKey of 5-octoxypentane-1,2-diamine?
The InChIKey is OZSKQRFCFOFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-2-3-4-5-6-7-10-16-11-8-9-13(15)12-14/h13H,2-12,14-15H2,1H3.
What are the key properties of 5-octoxypentane-1,2-diamine?
5-octoxypentane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.43, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octoxypentane-1,2-diamine is sourced from PubChem (CID 20527044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).