1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

C15H31NO3 — CID 55260056

IUPAC1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCC1(C)CCCC1
InChIInChI=1S/C15H31NO3/c1-13(2)19-9-8-18-11-14(17)10-16-12-15(3)6-4-5-7-15/h13-14,16-17H,4-12H2,1-3H3
InChIKeyXYXNHMWMXULSGS-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.96
Rot. Bonds10

About 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 55260056) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID55260056
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCC1(C)CCCC1
InChIInChI=1S/C15H31NO3/c1-13(2)19-9-8-18-11-14(17)10-16-12-15(3)6-4-5-7-15/h13-14,16-17H,4-12H2,1-3H3
InChIKeyXYXNHMWMXULSGS-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)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-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 55260056) is 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is CC(C)OCCOCC(O)CNCC1(C)CCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is XYXNHMWMXULSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-13(2)19-9-8-18-11-14(17)10-16-12-15(3)6-4-5-7-15/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 55260056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).