1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide

C13H27N3O — CID 79655573

IUPAC1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide
SMILESCC(N(C)C1CCC(N)(C(N)=O)C1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-9(12(2,3)4)16(5)10-6-7-13(15,8-10)11(14)17/h9-10H,6-8,15H2,1-5H3,(H2,14,17)
InChIKeyXKNQETUJQXQNLE-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.09
Rot. Bonds3

About 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide

1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide (PubChem CID 79655573) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide
PubChem CID79655573
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide
SMILESCC(N(C)C1CCC(N)(C(N)=O)C1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-9(12(2,3)4)16(5)10-6-7-13(15,8-10)11(14)17/h9-10H,6-8,15H2,1-5H3,(H2,14,17)
InChIKeyXKNQETUJQXQNLE-UHFFFAOYSA-N
XLogP1.09
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649570
1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655552
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
1-amino-3-(dibutylamino)cyclopentane-1-carboxamide
CID 79649564
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79654994
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641743
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655725
[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640947
1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
CID 79635988
1-amino-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxylic acid
CID 79650269

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide (CID 79655573) is 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide is CC(N(C)C1CCC(N)(C(N)=O)C1)C(C)(C)C.
What is the InChIKey of 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide?
The InChIKey is XKNQETUJQXQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-9(12(2,3)4)16(5)10-6-7-13(15,8-10)11(14)17/h9-10H,6-8,15H2,1-5H3,(H2,14,17).
What are the key properties of 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide?
1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 79655573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).