1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine

C9H19NO2 — CID 103559585

IUPAC1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOCC(N)CC1(OC)CCC1
InChIInChI=1S/C9H19NO2/c1-11-7-8(10)6-9(12-2)4-3-5-9/h8H,3-7,10H2,1-2H3
InChIKeyBNZRQTGBKRLWEA-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds5

About 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine

1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine (PubChem CID 103559585) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine
PubChem CID103559585
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOCC(N)CC1(OC)CCC1
InChIInChI=1S/C9H19NO2/c1-11-7-8(10)6-9(12-2)4-3-5-9/h8H,3-7,10H2,1-2H3
InChIKeyBNZRQTGBKRLWEA-UHFFFAOYSA-N
XLogP0.92
TPSA44.48 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine (CID 103559585) is 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine is COCC(N)CC1(OC)CCC1.
What is the InChIKey of 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine?
The InChIKey is BNZRQTGBKRLWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-7-8(10)6-9(12-2)4-3-5-9/h8H,3-7,10H2,1-2H3.
What are the key properties of 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine?
1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine has a molecular weight of 173.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103559585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).