N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

C9H19NO2 — CID 104759648

IUPACN-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1(OC)CCOC1
InChIInChI=1S/C9H19NO2/c1-3-5-10-7-9(11-2)4-6-12-8-9/h10H,3-8H2,1-2H3
InChIKeyITJKLSUZKGSDIQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (PubChem CID 104759648) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
PubChem CID104759648
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1(OC)CCOC1
InChIInChI=1S/C9H19NO2/c1-3-5-10-7-9(11-2)4-6-12-8-9/h10H,3-8H2,1-2H3
InChIKeyITJKLSUZKGSDIQ-UHFFFAOYSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (CID 104759648) is N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is CCCNCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The InChIKey is ITJKLSUZKGSDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-10-7-9(11-2)4-6-12-8-9/h10H,3-8H2,1-2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104759648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).