dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium

C11H25N2O+ — CID 87865725

IUPACdimethylcarbamoyl-ethyl-di(propan-2-yl)azanium
SMILESCC[N+](C(=O)N(C)C)(C(C)C)C(C)C
InChIInChI=1S/C11H25N2O/c1-8-13(9(2)3,10(4)5)11(14)12(6)7/h9-10H,8H2,1-7H3/q+1
InChIKeyPDUKKFLNIZZFGD-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.32
Rot. Bonds3

About dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium

dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium (PubChem CID 87865725) has the molecular formula C11H25N2O+ and a molecular weight of 201.33 g/mol. Its IUPAC name is dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Namedimethylcarbamoyl-ethyl-di(propan-2-yl)azanium
PubChem CID87865725
Molecular FormulaC11H25N2O+
Molecular Weight201.33 g/mol
Exact Mass201.20
IUPAC Namedimethylcarbamoyl-ethyl-di(propan-2-yl)azanium
SMILESCC[N+](C(=O)N(C)C)(C(C)C)C(C)C
InChIInChI=1S/C11H25N2O/c1-8-13(9(2)3,10(4)5)11(14)12(6)7/h9-10H,8H2,1-7H3/q+1
InChIKeyPDUKKFLNIZZFGD-UHFFFAOYSA-N
XLogP2.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium?
The IUPAC name of dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium (CID 87865725) is dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium.
What is the SMILES notation for dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium?
The canonical SMILES for dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium is CC[N+](C(=O)N(C)C)(C(C)C)C(C)C.
What is the InChIKey of dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium?
The InChIKey is PDUKKFLNIZZFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O/c1-8-13(9(2)3,10(4)5)11(14)12(6)7/h9-10H,8H2,1-7H3/q+1.
What are the key properties of dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium?
dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium has a molecular weight of 201.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium is sourced from PubChem (CID 87865725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).