3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide

C12H27N3O — CID 103814926

IUPAC3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
SMILESCCCN(CC)CCNC(=O)CC(C)(C)N
InChIInChI=1S/C12H27N3O/c1-5-8-15(6-2)9-7-14-11(16)10-12(3,4)13/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyCRFCAHMMLAEWRM-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds8

About 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide

3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide (PubChem CID 103814926) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
PubChem CID103814926
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
SMILESCCCN(CC)CCNC(=O)CC(C)(C)N
InChIInChI=1S/C12H27N3O/c1-5-8-15(6-2)9-7-14-11(16)10-12(3,4)13/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyCRFCAHMMLAEWRM-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-[ethyl(propyl)amino]ethyl]-4-methylpentanamide
CID 103814940
N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide
CID 121265051
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 104919958
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
3-amino-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 64679060
ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate
CID 113247689
2-amino-N-[2-[ethyl(propyl)amino]ethyl]-2-phenylpropanamide;dihydrochloride
CID 120597323
ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate
CID 104917991
3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide
CID 115155111
2-(carbamoylamino)-N-[2-(diethylamino)ethyl]acetamide
CID 127518867
N-[2-[ethyl(propyl)amino]ethyl]-2,2-difluoroacetamide
CID 107168084
4-[2-(diethylamino)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43529401

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide (CID 103814926) is 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide is CCCN(CC)CCNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide?
The InChIKey is CRFCAHMMLAEWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-8-15(6-2)9-7-14-11(16)10-12(3,4)13/h5-10,13H2,1-4H3,(H,14,16).
What are the key properties of 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide?
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 103814926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).