N-methyl-1-propan-2-yloxymethanamine

C5H13NO — CID 20626765

IUPACN-methyl-1-propan-2-yloxymethanamine
SMILESCNCOC(C)C
InChIInChI=1S/C5H13NO/c1-5(2)7-4-6-3/h5-6H,4H2,1-3H3
InChIKeyVNRBPIHIFYXECV-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.59
Rot. Bonds3

About N-methyl-1-propan-2-yloxymethanamine

N-methyl-1-propan-2-yloxymethanamine (PubChem CID 20626765) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is N-methyl-1-propan-2-yloxymethanamine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yloxymethanamine
PubChem CID20626765
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC NameN-methyl-1-propan-2-yloxymethanamine
SMILESCNCOC(C)C
InChIInChI=1S/C5H13NO/c1-5(2)7-4-6-3/h5-6H,4H2,1-3H3
InChIKeyVNRBPIHIFYXECV-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
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-methyl-1-propan-2-yloxymethanamine?
The IUPAC name of N-methyl-1-propan-2-yloxymethanamine (CID 20626765) is N-methyl-1-propan-2-yloxymethanamine.
What is the SMILES notation for N-methyl-1-propan-2-yloxymethanamine?
The canonical SMILES for N-methyl-1-propan-2-yloxymethanamine is CNCOC(C)C.
What is the InChIKey of N-methyl-1-propan-2-yloxymethanamine?
The InChIKey is VNRBPIHIFYXECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-5(2)7-4-6-3/h5-6H,4H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yloxymethanamine?
N-methyl-1-propan-2-yloxymethanamine has a molecular weight of 103.16 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yloxymethanamine is sourced from PubChem (CID 20626765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).