methyl formate;propan-2-amine

C5H13NO2 — CID 19028510

IUPACmethyl formate;propan-2-amine
SMILESCC(C)N.COC=O
InChIInChI=1S/C3H9N.C2H4O2/c1-3(2)4;1-4-2-3/h3H,4H2,1-2H3;2H,1H3
InChIKeyXHHCNODABGQRTF-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.14
Rot. Bonds1

About methyl formate;propan-2-amine

methyl formate;propan-2-amine (PubChem CID 19028510) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is methyl formate;propan-2-amine.

Molecular Properties

Compound Namemethyl formate;propan-2-amine
PubChem CID19028510
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Namemethyl formate;propan-2-amine
SMILESCC(C)N.COC=O
InChIInChI=1S/C3H9N.C2H4O2/c1-3(2)4;1-4-2-3/h3H,4H2,1-2H3;2H,1H3
InChIKeyXHHCNODABGQRTF-UHFFFAOYSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl formate;propan-2-amine?
The IUPAC name of methyl formate;propan-2-amine (CID 19028510) is methyl formate;propan-2-amine.
What is the SMILES notation for methyl formate;propan-2-amine?
The canonical SMILES for methyl formate;propan-2-amine is CC(C)N.COC=O.
What is the InChIKey of methyl formate;propan-2-amine?
The InChIKey is XHHCNODABGQRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H4O2/c1-3(2)4;1-4-2-3/h3H,4H2,1-2H3;2H,1H3.
What are the key properties of methyl formate;propan-2-amine?
methyl formate;propan-2-amine has a molecular weight of 119.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;propan-2-amine is sourced from PubChem (CID 19028510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).