N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine

C18H27NO2 — CID 118313351

IUPACN-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine
SMILESCOCCCOc1cc(C(C)NC2CC2)ccc1C1CC1
InChIInChI=1S/C18H27NO2/c1-13(19-16-7-8-16)15-6-9-17(14-4-5-14)18(12-15)21-11-3-10-20-2/h6,9,12-14,16,19H,3-5,7-8,10-11H2,1-2H3
InChIKeyPOEIEGLSNKFMKU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.79
Rot. Bonds9

About N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine

N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine (PubChem CID 118313351) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine
PubChem CID118313351
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine
SMILESCOCCCOc1cc(C(C)NC2CC2)ccc1C1CC1
InChIInChI=1S/C18H27NO2/c1-13(19-16-7-8-16)15-6-9-17(14-4-5-14)18(12-15)21-11-3-10-20-2/h6,9,12-14,16,19H,3-5,7-8,10-11H2,1-2H3
InChIKeyPOEIEGLSNKFMKU-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine (CID 118313351) is N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine is COCCCOc1cc(C(C)NC2CC2)ccc1C1CC1.
What is the InChIKey of N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine?
The InChIKey is POEIEGLSNKFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(19-16-7-8-16)15-6-9-17(14-4-5-14)18(12-15)21-11-3-10-20-2/h6,9,12-14,16,19H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine?
N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-cyclopropyl-3-(3-methoxypropoxy)phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 118313351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).