2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide

C13H29N3O2 — CID 55171324

IUPAC2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide
SMILESCOCCN(CCCN)C(C)C(=O)NCC(C)C
InChIInChI=1S/C13H29N3O2/c1-11(2)10-15-13(17)12(3)16(7-5-6-14)8-9-18-4/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyYXUFTCTUNFPWQU-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.44
Rot. Bonds10

About 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide

2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 55171324) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID55171324
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide
SMILESCOCCN(CCCN)C(C)C(=O)NCC(C)C
InChIInChI=1S/C13H29N3O2/c1-11(2)10-15-13(17)12(3)16(7-5-6-14)8-9-18-4/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyYXUFTCTUNFPWQU-UHFFFAOYSA-N
XLogP0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide
CID 43137351
2-[2-aminoethyl(2-methoxyethyl)amino]-N-tert-butylpropanamide
CID 113468478
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63287403
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
CID 43137532
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide
CID 63286664
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188
N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 82949330
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide (CID 55171324) is 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide is COCCN(CCCN)C(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is YXUFTCTUNFPWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-11(2)10-15-13(17)12(3)16(7-5-6-14)8-9-18-4/h11-12H,5-10,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide?
2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 259.39 g/mol, XLogP of 0.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 55171324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).