ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid

C17H39NO3 — CID 156794727

IUPACethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid
SMILESCC.CC.CCCCCOCCCC(CNCC)C(=O)O
InChIInChI=1S/C13H27NO3.2C2H6/c1-3-5-6-9-17-10-7-8-12(13(15)16)11-14-4-2;2*1-2/h12,14H,3-11H2,1-2H3,(H,15,16);2*1-2H3
InChIKeyDCWFRJCBPLBVRP-UHFFFAOYSA-N
MW305.50 g/mol
LogP4.34
Rot. Bonds12

About ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid

ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid (PubChem CID 156794727) has the molecular formula C17H39NO3 and a molecular weight of 305.50 g/mol. Its IUPAC name is ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid.

Molecular Properties

Compound Nameethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid
PubChem CID156794727
Molecular FormulaC17H39NO3
Molecular Weight305.50 g/mol
Exact Mass305.29
IUPAC Nameethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid
SMILESCC.CC.CCCCCOCCCC(CNCC)C(=O)O
InChIInChI=1S/C13H27NO3.2C2H6/c1-3-5-6-9-17-10-7-8-12(13(15)16)11-14-4-2;2*1-2/h12,14H,3-11H2,1-2H3,(H,15,16);2*1-2H3
InChIKeyDCWFRJCBPLBVRP-UHFFFAOYSA-N
XLogP4.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 54.34
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

5-pentoxy-2-(propylaminomethyl)pentanoic acid
CID 155752215
5-(4-methylpentoxy)-2-[(2-methylpropylamino)methyl]pentanoic acid;molecular hydrogen
CID 159075229
2-[(tetradecylamino)methyl]tetradecanoic acid
CID 57192741
2-(propylaminomethyl)hexanoic acid;dihydrochloride
CID 142749196
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-propylheptanoic acid)
CID 122657779
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(2-propylheptanoic acid)
CID 122657777
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
2-dodecyloctacosanoic acid
CID 90897371
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677

Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid?
The IUPAC name of ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid (CID 156794727) is ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid.
What is the SMILES notation for ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid?
The canonical SMILES for ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid is CC.CC.CCCCCOCCCC(CNCC)C(=O)O.
What is the InChIKey of ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid?
The InChIKey is DCWFRJCBPLBVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3.2C2H6/c1-3-5-6-9-17-10-7-8-12(13(15)16)11-14-4-2;2*1-2/h12,14H,3-11H2,1-2H3,(H,15,16);2*1-2H3.
What are the key properties of ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid?
ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid has a molecular weight of 305.50 g/mol, XLogP of 4.34, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid is sourced from PubChem (CID 156794727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).