N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine

C15H27NO2 — CID 113420877

IUPACN-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCOCCC1(CNC2CC2)CCOC1C1CC1
InChIInChI=1S/C15H27NO2/c1-2-17-9-7-15(11-16-13-5-6-13)8-10-18-14(15)12-3-4-12/h12-14,16H,2-11H2,1H3
InChIKeyZNERMTIAWRLTEM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds8

About N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 113420877) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID113420877
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCOCCC1(CNC2CC2)CCOC1C1CC1
InChIInChI=1S/C15H27NO2/c1-2-17-9-7-15(11-16-13-5-6-13)8-10-18-14(15)12-3-4-12/h12-14,16H,2-11H2,1H3
InChIKeyZNERMTIAWRLTEM-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104510013
N-[[2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 106457296
[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
CID 104509396
3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
CID 104510552
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106706218
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
[2-cyclopropyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methanol
CID 104568665
N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
CID 104509767
N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 104510024
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991
2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine
CID 106459238

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 113420877) is N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine is CCOCCC1(CNC2CC2)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is ZNERMTIAWRLTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-17-9-7-15(11-16-13-5-6-13)8-10-18-14(15)12-3-4-12/h12-14,16H,2-11H2,1H3.
What are the key properties of N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 253.39 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 113420877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).