2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine

C13H25NO2 — CID 103580891

IUPAC2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
SMILESCC(C)(C)OCCNC1CCOC1C1CC1
InChIInChI=1S/C13H25NO2/c1-13(2,3)16-9-7-14-11-6-8-15-12(11)10-4-5-10/h10-12,14H,4-9H2,1-3H3
InChIKeyYOPCZVWJGSZIHR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds5

About 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine

2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine (PubChem CID 103580891) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
PubChem CID103580891
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
SMILESCC(C)(C)OCCNC1CCOC1C1CC1
InChIInChI=1S/C13H25NO2/c1-13(2,3)16-9-7-14-11-6-8-15-12(11)10-4-5-10/h10-12,14H,4-9H2,1-3H3
InChIKeyYOPCZVWJGSZIHR-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103581014
tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate
CID 114119970
4-[(2-cyclopropyloxolan-3-yl)amino]-2-methylbutan-2-ol
CID 103580800
N-butyl-2-cyclopropyloxolan-3-amine
CID 103580713
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
N-[2-[(2-cyclopropyloxolan-3-yl)amino]ethyl]acetamide
CID 103580659
N-(cyclobutylmethyl)-2-cyclopropyloxolan-3-amine
CID 103580992
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
2-cyclopropyl-N-(2-ethylbutyl)oxolan-3-amine
CID 103923918
2-cyclopropyl-N-hept-6-enyloxolan-3-amine
CID 107167060
2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
CID 112589376
N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864566

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine (CID 103580891) is 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine is CC(C)(C)OCCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine?
The InChIKey is YOPCZVWJGSZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)16-9-7-14-11-6-8-15-12(11)10-4-5-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine?
2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine is sourced from PubChem (CID 103580891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).