2-octoxypentan-3-amine

C13H29NO — CID 43127877

IUPAC2-octoxypentan-3-amine
SMILESCCCCCCCCOC(C)C(N)CC
InChIInChI=1S/C13H29NO/c1-4-6-7-8-9-10-11-15-12(3)13(14)5-2/h12-13H,4-11,14H2,1-3H3
InChIKeyYBPDICWDKABMLL-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.49
Rot. Bonds10

About 2-octoxypentan-3-amine

2-octoxypentan-3-amine (PubChem CID 43127877) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-octoxypentan-3-amine.

Molecular Properties

Compound Name2-octoxypentan-3-amine
PubChem CID43127877
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-octoxypentan-3-amine
SMILESCCCCCCCCOC(C)C(N)CC
InChIInChI=1S/C13H29NO/c1-4-6-7-8-9-10-11-15-12(3)13(14)5-2/h12-13H,4-11,14H2,1-3H3
InChIKeyYBPDICWDKABMLL-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pentoxybutan-2-amine
CID 61352378
2-(4-methylpentoxy)pentan-3-amine
CID 43127709
octoxymethanediamine
CID 142625053
1-pentoxyethanamine
CID 57262541
1-tetradecoxypropan-1-amine;hydrobromide
CID 173193932
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
1-amino-1-octoxypropan-2-ol
CID 174604466
1-pentan-3-yloxydecane
CID 173279604
4-tetradecoxyhexane-1,3-diamine
CID 22385509
(2R,3S)-3-hexadecoxybutane-1,2-diol
CID 14233165
1-heptacontoxyethanol
CID 169098461
1-(1-fluoroethoxy)tridecane
CID 175410550

Frequently Asked Questions

What is the IUPAC name of 2-octoxypentan-3-amine?
The IUPAC name of 2-octoxypentan-3-amine (CID 43127877) is 2-octoxypentan-3-amine.
What is the SMILES notation for 2-octoxypentan-3-amine?
The canonical SMILES for 2-octoxypentan-3-amine is CCCCCCCCOC(C)C(N)CC.
What is the InChIKey of 2-octoxypentan-3-amine?
The InChIKey is YBPDICWDKABMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-6-7-8-9-10-11-15-12(3)13(14)5-2/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 2-octoxypentan-3-amine?
2-octoxypentan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxypentan-3-amine is sourced from PubChem (CID 43127877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).