2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide

C12H25N3O — CID 61486524

IUPAC2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(CCN)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-12(2,3)14-11(16)9-15(8-7-13)10-5-6-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyDREMNIKJRITVGK-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds7

About 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide

2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 61486524) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID61486524
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(CCN)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-12(2,3)14-11(16)9-15(8-7-13)10-5-6-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyDREMNIKJRITVGK-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 102677025
2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486484
2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 78900507
N-(2-methylbutan-2-yl)-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79122523
2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
CID 102875096
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylacetamide
CID 54997633
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 107494621
2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
CID 63760267
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 62006571
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopropylacetamide
CID 43137486
2-[2-aminoethyl(cyclopentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 63760066

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide (CID 61486524) is 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN(CCN)C1CC1.
What is the InChIKey of 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is DREMNIKJRITVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-12(2,3)14-11(16)9-15(8-7-13)10-5-6-10/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide?
2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61486524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).