2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide

C13H26N4O2 — CID 81490662

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCC(C)C(N)CCN(C)CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C13H26N4O2/c1-9(2)11(14)6-7-17(3)8-12(18)16-13(19)15-10-4-5-10/h9-11H,4-8,14H2,1-3H3,(H2,15,16,18,19)
InChIKeyLCKQUZXPIHGSQW-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.28
Rot. Bonds7

About 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide

2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 81490662) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID81490662
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCC(C)C(N)CCN(C)CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C13H26N4O2/c1-9(2)11(14)6-7-17(3)8-12(18)16-13(19)15-10-4-5-10/h9-11H,4-8,14H2,1-3H3,(H2,15,16,18,19)
InChIKeyLCKQUZXPIHGSQW-UHFFFAOYSA-N
XLogP0.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 81494112
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
N-(cyclopropylcarbamoyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 36962774
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825177
N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide
CID 52664415
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 60700103
[[(3-amino-4-methylpentyl)-methylsulfamoyl]amino]cyclopropane
CID 114811297
2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
CID 115317830

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide (CID 81490662) is 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide is CC(C)C(N)CCN(C)CC(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is LCKQUZXPIHGSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-9(2)11(14)6-7-17(3)8-12(18)16-13(19)15-10-4-5-10/h9-11H,4-8,14H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide?
2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 270.38 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 81490662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).