2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one

C14H28N2O — CID 128501010

IUPAC2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
SMILESCN1CCCN(C(=O)C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-13(2,3)14(4,5)12(17)16-9-7-8-15(6)10-11-16/h7-11H2,1-6H3
InChIKeyCYSUCKVBJZDAMA-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.22
Rot. Bonds1

About 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one

2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one (PubChem CID 128501010) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
PubChem CID128501010
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
SMILESCN1CCCN(C(=O)C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-13(2,3)14(4,5)12(17)16-9-7-8-15(6)10-11-16/h7-11H2,1-6H3
InChIKeyCYSUCKVBJZDAMA-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one?
The IUPAC name of 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one (CID 128501010) is 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one?
The canonical SMILES for 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one is CN1CCCN(C(=O)C(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one?
The InChIKey is CYSUCKVBJZDAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2,3)14(4,5)12(17)16-9-7-8-15(6)10-11-16/h7-11H2,1-6H3.
What are the key properties of 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one?
2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one is sourced from PubChem (CID 128501010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).