3-[(1-methylcyclopropyl)methoxy]propan-1-amine

C8H17NO — CID 71773693

IUPAC3-[(1-methylcyclopropyl)methoxy]propan-1-amine
SMILESCC1(COCCCN)CC1
InChIInChI=1S/C8H17NO/c1-8(3-4-8)7-10-6-2-5-9/h2-7,9H2,1H3
InChIKeyIZSCZIIRSXCVAF-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds5

About 3-[(1-methylcyclopropyl)methoxy]propan-1-amine

3-[(1-methylcyclopropyl)methoxy]propan-1-amine (PubChem CID 71773693) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-[(1-methylcyclopropyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(1-methylcyclopropyl)methoxy]propan-1-amine
PubChem CID71773693
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-[(1-methylcyclopropyl)methoxy]propan-1-amine
SMILESCC1(COCCCN)CC1
InChIInChI=1S/C8H17NO/c1-8(3-4-8)7-10-6-2-5-9/h2-7,9H2,1H3
InChIKeyIZSCZIIRSXCVAF-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[(1-methylcyclopropyl)methoxy]propan-1-amine?
The IUPAC name of 3-[(1-methylcyclopropyl)methoxy]propan-1-amine (CID 71773693) is 3-[(1-methylcyclopropyl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(1-methylcyclopropyl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(1-methylcyclopropyl)methoxy]propan-1-amine is CC1(COCCCN)CC1.
What is the InChIKey of 3-[(1-methylcyclopropyl)methoxy]propan-1-amine?
The InChIKey is IZSCZIIRSXCVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(3-4-8)7-10-6-2-5-9/h2-7,9H2,1H3.
What are the key properties of 3-[(1-methylcyclopropyl)methoxy]propan-1-amine?
3-[(1-methylcyclopropyl)methoxy]propan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopropyl)methoxy]propan-1-amine is sourced from PubChem (CID 71773693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).