2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide

C13H27N3O — CID 79661499

IUPAC2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide
SMILESCCN(CC(C)(C)CN)C(C)C(=O)NC1CC1
InChIInChI=1S/C13H27N3O/c1-5-16(9-13(3,4)8-14)10(2)12(17)15-11-6-7-11/h10-11H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyUHTQTCRAGFNFPT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide (PubChem CID 79661499) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide
PubChem CID79661499
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide
SMILESCCN(CC(C)(C)CN)C(C)C(=O)NC1CC1
InChIInChI=1S/C13H27N3O/c1-5-16(9-13(3,4)8-14)10(2)12(17)15-11-6-7-11/h10-11H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyUHTQTCRAGFNFPT-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopentylpropanamide
CID 79667958
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid
CID 79661326
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62853862
1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea
CID 79652798
ethyl 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]acetate
CID 62026180
N-cyclopropyl-2-[2-hydroxyethyl(propyl)amino]propanamide
CID 60691805
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropylpropanamide
CID 61350106
N-cyclopropyl-2-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554062
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62820612
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2-methylpropyl)propanamide
CID 79389367
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide (CID 79661499) is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide is CCN(CC(C)(C)CN)C(C)C(=O)NC1CC1.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide?
The InChIKey is UHTQTCRAGFNFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-16(9-13(3,4)8-14)10(2)12(17)15-11-6-7-11/h10-11H,5-9,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide?
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79661499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).