2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide

C13H29N3O2 — CID 103388839

IUPAC2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(CCCN)COC
InChIInChI=1S/C13H29N3O2/c1-5-16(6-2)13(17)11(3)15-12(10-18-4)8-7-9-14/h11-12,15H,5-10,14H2,1-4H3
InChIKeyQXCMCGGNLJUUFT-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.59
Rot. Bonds10

About 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide

2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide (PubChem CID 103388839) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
PubChem CID103388839
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(CCCN)COC
InChIInChI=1S/C13H29N3O2/c1-5-16(6-2)13(17)11(3)15-12(10-18-4)8-7-9-14/h11-12,15H,5-10,14H2,1-4H3
InChIKeyQXCMCGGNLJUUFT-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
CID 103389536
N,N-diethyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 65049413
2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid
CID 103389621
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
CID 103390783
2-(1-aminopropan-2-ylamino)-N,N-diethylpropanamide
CID 103388840
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate
CID 107245385
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
(2R)-N,N-diethyl-2-[[(2R)-1-methoxypropan-2-yl]carbamoylamino]propanamide
CID 95346439
N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164
2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107864954
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide (CID 103388839) is 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC(CCCN)COC.
What is the InChIKey of 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide?
The InChIKey is QXCMCGGNLJUUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-5-16(6-2)13(17)11(3)15-12(10-18-4)8-7-9-14/h11-12,15H,5-10,14H2,1-4H3.
What are the key properties of 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide?
2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide has a molecular weight of 259.39 g/mol, XLogP of 0.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 103388839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).