N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine

C12H25NO2 — CID 112587431

IUPACN-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
SMILESCC(C)(C)OCCOCCCNC1CC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-10-9-14-8-4-7-13-11-5-6-11/h11,13H,4-10H2,1-3H3
InChIKeyRJSWVBLGTLTEDP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds8

About N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine

N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine (PubChem CID 112587431) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
PubChem CID112587431
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
SMILESCC(C)(C)OCCOCCCNC1CC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-10-9-14-8-4-7-13-11-5-6-11/h11,13H,4-10H2,1-3H3
InChIKeyRJSWVBLGTLTEDP-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
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

N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine
CID 112590092
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
2-methyl-N-[2-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl]propan-2-amine
CID 126654287
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
4-(3-butoxypropylamino)cyclohexan-1-ol
CID 106595163
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[3-(2-methoxyethoxy)propyl]cyclohex-3-en-1-amine
CID 103409551

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine?
The IUPAC name of N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine (CID 112587431) is N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine is CC(C)(C)OCCOCCCNC1CC1.
What is the InChIKey of N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine?
The InChIKey is RJSWVBLGTLTEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)15-10-9-14-8-4-7-13-11-5-6-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine?
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine is sourced from PubChem (CID 112587431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).