4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one

C14H27N3O — CID 168698669

IUPAC4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC1(C)CC(N)CC(C)(CN2CC(N)CC2=O)C1
InChIInChI=1S/C14H27N3O/c1-13(2)5-11(16)6-14(3,8-13)9-17-7-10(15)4-12(17)18/h10-11H,4-9,15-16H2,1-3H3
InChIKeyZPTRGEBULLCIMB-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.09
Rot. Bonds2

About 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one

4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 168698669) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
PubChem CID168698669
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC1(C)CC(N)CC(C)(CN2CC(N)CC2=O)C1
InChIInChI=1S/C14H27N3O/c1-13(2)5-11(16)6-14(3,8-13)9-17-7-10(15)4-12(17)18/h10-11H,4-9,15-16H2,1-3H3
InChIKeyZPTRGEBULLCIMB-UHFFFAOYSA-N
XLogP1.09
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one (CID 168698669) is 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one is CC1(C)CC(N)CC(C)(CN2CC(N)CC2=O)C1.
What is the InChIKey of 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is ZPTRGEBULLCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2)5-11(16)6-14(3,8-13)9-17-7-10(15)4-12(17)18/h10-11H,4-9,15-16H2,1-3H3.
What are the key properties of 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one?
4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168698669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).