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

C12H25N3O — CID 79577891

IUPAC1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCC(C)N(C)CCC1CCCC1(N)C(N)=O
InChIInChI=1S/C12H25N3O/c1-9(2)15(3)8-6-10-5-4-7-12(10,14)11(13)16/h9-10H,4-8,14H2,1-3H3,(H2,13,16)
InChIKeyGNEKDWNKYNULIZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.70
Rot. Bonds5

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

1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 79577891) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
PubChem CID79577891
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCC(C)N(C)CCC1CCCC1(N)C(N)=O
InChIInChI=1S/C12H25N3O/c1-9(2)15(3)8-6-10-5-4-7-12(10,14)11(13)16/h9-10H,4-8,14H2,1-3H3,(H2,13,16)
InChIKeyGNEKDWNKYNULIZ-UHFFFAOYSA-N
XLogP0.70
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.70
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(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide (CID 79577891) is 1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide is CC(C)N(C)CCC1CCCC1(N)C(N)=O.
What is the InChIKey of 1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is GNEKDWNKYNULIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)15(3)8-6-10-5-4-7-12(10,14)11(13)16/h9-10H,4-8,14H2,1-3H3,(H2,13,16).
What are the key properties of 1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.70, 5 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(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79577891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).