3-aminopropyl formate;propan-2-amine

C7H18N2O2 — CID 175555477

IUPAC3-aminopropyl formate;propan-2-amine
SMILESCC(C)N.NCCCOC=O
InChIInChI=1S/C4H9NO2.C3H9N/c5-2-1-3-7-4-6;1-3(2)4/h4H,1-3,5H2;3H,4H2,1-2H3
InChIKeyLDDMHIRFRASRBB-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.14
Rot. Bonds4

About 3-aminopropyl formate;propan-2-amine

3-aminopropyl formate;propan-2-amine (PubChem CID 175555477) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-aminopropyl formate;propan-2-amine.

Molecular Properties

Compound Name3-aminopropyl formate;propan-2-amine
PubChem CID175555477
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name3-aminopropyl formate;propan-2-amine
SMILESCC(C)N.NCCCOC=O
InChIInChI=1S/C4H9NO2.C3H9N/c5-2-1-3-7-4-6;1-3(2)4/h4H,1-3,5H2;3H,4H2,1-2H3
InChIKeyLDDMHIRFRASRBB-UHFFFAOYSA-N
XLogP-0.14
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl formate;propan-2-amine?
The IUPAC name of 3-aminopropyl formate;propan-2-amine (CID 175555477) is 3-aminopropyl formate;propan-2-amine.
What is the SMILES notation for 3-aminopropyl formate;propan-2-amine?
The canonical SMILES for 3-aminopropyl formate;propan-2-amine is CC(C)N.NCCCOC=O.
What is the InChIKey of 3-aminopropyl formate;propan-2-amine?
The InChIKey is LDDMHIRFRASRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C3H9N/c5-2-1-3-7-4-6;1-3(2)4/h4H,1-3,5H2;3H,4H2,1-2H3.
What are the key properties of 3-aminopropyl formate;propan-2-amine?
3-aminopropyl formate;propan-2-amine has a molecular weight of 162.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl formate;propan-2-amine is sourced from PubChem (CID 175555477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).