1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol

C13H25NO3 — CID 54938520

IUPAC1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)COCC1CC1)C1CCCO1
InChIInChI=1S/C13H25NO3/c1-10(13-3-2-6-17-13)14-7-12(15)9-16-8-11-4-5-11/h10-15H,2-9H2,1H3
InChIKeyAQFSBKWJBWZCAN-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.93
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol

1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol (PubChem CID 54938520) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
PubChem CID54938520
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)COCC1CC1)C1CCCO1
InChIInChI=1S/C13H25NO3/c1-10(13-3-2-6-17-13)14-7-12(15)9-16-8-11-4-5-11/h10-15H,2-9H2,1H3
InChIKeyAQFSBKWJBWZCAN-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol (CID 54938520) is 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol is CC(NCC(O)COCC1CC1)C1CCCO1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol?
The InChIKey is AQFSBKWJBWZCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(13-3-2-6-17-13)14-7-12(15)9-16-8-11-4-5-11/h10-15H,2-9H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 54938520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).