1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide

C13H27N3O — CID 79564339

IUPAC1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCC(C)CN(C)CCC1CCCC1(N)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10(2)9-16(3)8-6-11-5-4-7-13(11,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)
InChIKeyHHWARKBIZUOTGD-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.95
Rot. Bonds6

About 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 79564339) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
PubChem CID79564339
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCC(C)CN(C)CCC1CCCC1(N)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10(2)9-16(3)8-6-11-5-4-7-13(11,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17)
InChIKeyHHWARKBIZUOTGD-UHFFFAOYSA-N
XLogP0.95
TPSA72.35 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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide (CID 79564339) is 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide is CC(C)CN(C)CCC1CCCC1(N)C(N)=O.
What is the InChIKey of 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is HHWARKBIZUOTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)9-16(3)8-6-11-5-4-7-13(11,15)12(14)17/h10-11H,4-9,15H2,1-3H3,(H2,14,17).
What are the key properties of 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[methyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79564339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).