N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine

C13H27NO2 — CID 106449904

IUPACN-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCCOCC(C)C
InChIInChI=1S/C13H27NO2/c1-4-13(9-14-12-5-6-12)16-8-7-15-10-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyLGOCIBPVGMQDKO-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds10

About N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine

N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine (PubChem CID 106449904) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
PubChem CID106449904
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCCOCC(C)C
InChIInChI=1S/C13H27NO2/c1-4-13(9-14-12-5-6-12)16-8-7-15-10-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyLGOCIBPVGMQDKO-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
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-[2-(3-methylbutoxy)butyl]cyclopropanamine
CID 62445151
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
CID 103227787
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine
CID 81015534
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445305
N-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropyl]cyclopropanamine
CID 103075099
N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine
CID 55077915
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
N-[2-(1-ethoxypropan-2-yloxy)-3-methoxypropyl]cyclopropanamine
CID 103490509

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine (CID 106449904) is N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine is CCC(CNC1CC1)OCCOCC(C)C.
What is the InChIKey of N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine?
The InChIKey is LGOCIBPVGMQDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-13(9-14-12-5-6-12)16-8-7-15-10-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine?
N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine is sourced from PubChem (CID 106449904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).