N,N-dimethyl-1-propan-2-yloxymethanamine

C6H15NO — CID 14271001

IUPACN,N-dimethyl-1-propan-2-yloxymethanamine
SMILESCC(C)OCN(C)C
InChIInChI=1S/C6H15NO/c1-6(2)8-5-7(3)4/h6H,5H2,1-4H3
InChIKeyXXYLURVHMHLSKU-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.93
Rot. Bonds3

About N,N-dimethyl-1-propan-2-yloxymethanamine

N,N-dimethyl-1-propan-2-yloxymethanamine (PubChem CID 14271001) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-yloxymethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-yloxymethanamine
PubChem CID14271001
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC NameN,N-dimethyl-1-propan-2-yloxymethanamine
SMILESCC(C)OCN(C)C
InChIInChI=1S/C6H15NO/c1-6(2)8-5-7(3)4/h6H,5H2,1-4H3
InChIKeyXXYLURVHMHLSKU-UHFFFAOYSA-N
XLogP0.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-yloxymethanamine?
The IUPAC name of N,N-dimethyl-1-propan-2-yloxymethanamine (CID 14271001) is N,N-dimethyl-1-propan-2-yloxymethanamine.
What is the SMILES notation for N,N-dimethyl-1-propan-2-yloxymethanamine?
The canonical SMILES for N,N-dimethyl-1-propan-2-yloxymethanamine is CC(C)OCN(C)C.
What is the InChIKey of N,N-dimethyl-1-propan-2-yloxymethanamine?
The InChIKey is XXYLURVHMHLSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(2)8-5-7(3)4/h6H,5H2,1-4H3.
What are the key properties of N,N-dimethyl-1-propan-2-yloxymethanamine?
N,N-dimethyl-1-propan-2-yloxymethanamine has a molecular weight of 117.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-yloxymethanamine is sourced from PubChem (CID 14271001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).