2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one

C13H26N2O2 — CID 119321488

IUPAC2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one
SMILESCCCOC1CCCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C13H26N2O2/c1-4-10-17-11-6-5-8-15(9-7-11)12(16)13(2,3)14/h11H,4-10,14H2,1-3H3
InChIKeyKPFRHNFGDXNWCL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one

2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one (PubChem CID 119321488) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one
PubChem CID119321488
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one
SMILESCCCOC1CCCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C13H26N2O2/c1-4-10-17-11-6-5-8-15(9-7-11)12(16)13(2,3)14/h11H,4-10,14H2,1-3H3
InChIKeyKPFRHNFGDXNWCL-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one (CID 119321488) is 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one is CCCOC1CCCN(C(=O)C(C)(C)N)CC1.
What is the InChIKey of 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one?
The InChIKey is KPFRHNFGDXNWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-10-17-11-6-5-8-15(9-7-11)12(16)13(2,3)14/h11H,4-10,14H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one?
2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one is sourced from PubChem (CID 119321488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).