2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide

C14H30N2O2 — CID 65050972

IUPAC2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)OC(CC)(CC)CN
InChIInChI=1S/C14H30N2O2/c1-5-8-9-10-16-13(17)12(4)18-14(6-2,7-3)11-15/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyOPMYLTOYRJDYDE-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.22
Rot. Bonds10

About 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide

2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide (PubChem CID 65050972) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide
PubChem CID65050972
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)OC(CC)(CC)CN
InChIInChI=1S/C14H30N2O2/c1-5-8-9-10-16-13(17)12(4)18-14(6-2,7-3)11-15/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyOPMYLTOYRJDYDE-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.22
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

N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
3-amino-N-octadecyl-2,2-di(propan-2-yloxy)propanamide
CID 88715313
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
2-(2-aminoethylsulfonyl)-N-pentylpropanamide
CID 81175397
1-(2-aminoethyl)-3-pentylurea
CID 87091814
2,3-diamino-N-octadecylpropanamide
CID 158457421
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
CID 129383287
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
CID 43122445

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide (CID 65050972) is 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide is CCCCCNC(=O)C(C)OC(CC)(CC)CN.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide?
The InChIKey is OPMYLTOYRJDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-8-9-10-16-13(17)12(4)18-14(6-2,7-3)11-15/h12H,5-11,15H2,1-4H3,(H,16,17).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide?
2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide has a molecular weight of 258.41 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentylpropanamide is sourced from PubChem (CID 65050972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).