2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one

C14H26N2O — CID 70860436

IUPAC2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one
SMILESC[C@@H]1C2CCCC2CN1C(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-9-11-7-5-6-10(11)8-16(9)13(17)12(15)14(2,3)4/h9-12H,5-8,15H2,1-4H3/t9-,10?,11?,12?/m1/s1
InChIKeyJZHXZKPBDCIPOH-QBWABLMJSA-N
MW238.37 g/mol
LogP2.01
Rot. Bonds1

About 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one

2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one (PubChem CID 70860436) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one
PubChem CID70860436
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one
SMILESC[C@@H]1C2CCCC2CN1C(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-9-11-7-5-6-10(11)8-16(9)13(17)12(15)14(2,3)4/h9-12H,5-8,15H2,1-4H3/t9-,10?,11?,12?/m1/s1
InChIKeyJZHXZKPBDCIPOH-QBWABLMJSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one?
The IUPAC name of 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one (CID 70860436) is 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one.
What is the SMILES notation for 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one?
The canonical SMILES for 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one is C[C@@H]1C2CCCC2CN1C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one?
The InChIKey is JZHXZKPBDCIPOH-QBWABLMJSA-N. The full InChI is InChI=1S/C14H26N2O/c1-9-11-7-5-6-10(11)8-16(9)13(17)12(15)14(2,3)4/h9-12H,5-8,15H2,1-4H3/t9-,10?,11?,12?/m1/s1.
What are the key properties of 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one?
2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one is sourced from PubChem (CID 70860436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).