2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide

C13H27N3O — CID 63225297

IUPAC2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide
SMILESCC(CCN)N(C)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H27N3O/c1-10(8-9-14)16(3)11(2)13(17)15-12-6-4-5-7-12/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyDDIDOQZKLHMYDB-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

About 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide

2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide (PubChem CID 63225297) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide
PubChem CID63225297
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide
SMILESCC(CCN)N(C)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H27N3O/c1-10(8-9-14)16(3)11(2)13(17)15-12-6-4-5-7-12/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyDDIDOQZKLHMYDB-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide
CID 63225487
N-cyclopropyl-2-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554062
2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide
CID 63225439
2-(2-aminoethyl)-N-cyclopentyl-4-methylpentanamide
CID 112515388
2-[2-aminoethyl(cyclobutyl)amino]-N-cyclohexylpropanamide
CID 102875118
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopentylpropanamide
CID 43137529
N-cycloheptyl-2-methylpentanamide
CID 4532030
N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496931
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
5-amino-N-cyclopentyl-2-ethylpentanamide
CID 112515263
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopentylpropanamide
CID 79667958
3-[4-aminobutan-2-yl(methyl)amino]-N-cyclopropylpropanamide
CID 63225816

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide (CID 63225297) is 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide is CC(CCN)N(C)C(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide?
The InChIKey is DDIDOQZKLHMYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(8-9-14)16(3)11(2)13(17)15-12-6-4-5-7-12/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide?
2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 63225297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).