3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide

C15H28N2O — CID 64676714

IUPAC3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
SMILESCC(C)(N)CC(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H28N2O/c1-13(2,16)9-11(18)17-12-14(3,4)10-6-7-15(12,5)8-10/h10,12H,6-9,16H2,1-5H3,(H,17,18)
InChIKeySAWQLEJVEMXUBP-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.44
Rot. Bonds3

About 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide

3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide (PubChem CID 64676714) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
PubChem CID64676714
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
SMILESCC(C)(N)CC(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H28N2O/c1-13(2,16)9-11(18)17-12-14(3,4)10-6-7-15(12,5)8-10/h10,12H,6-9,16H2,1-5H3,(H,17,18)
InChIKeySAWQLEJVEMXUBP-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide (CID 64676714) is 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide is CC(C)(N)CC(=O)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide?
The InChIKey is SAWQLEJVEMXUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2,16)9-11(18)17-12-14(3,4)10-6-7-15(12,5)8-10/h10,12H,6-9,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide?
3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide has a molecular weight of 252.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide is sourced from PubChem (CID 64676714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).