N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine

C18H29NO2 — CID 65300915

IUPACN-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
SMILESCCOc1ccc(CCCCCNC2CC2)cc1OCC
InChIInChI=1S/C18H29NO2/c1-3-20-17-12-9-15(14-18(17)21-4-2)8-6-5-7-13-19-16-10-11-16/h9,12,14,16,19H,3-8,10-11,13H2,1-2H3
InChIKeyDYLOGCMBVDDQIV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.95
Rot. Bonds11

About N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine

N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine (PubChem CID 65300915) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
PubChem CID65300915
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
SMILESCCOc1ccc(CCCCCNC2CC2)cc1OCC
InChIInChI=1S/C18H29NO2/c1-3-20-17-12-9-15(14-18(17)21-4-2)8-6-5-7-13-19-16-10-11-16/h9,12,14,16,19H,3-8,10-11,13H2,1-2H3
InChIKeyDYLOGCMBVDDQIV-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.95
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-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
CID 65305770
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65308462
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
N-[4-(2-bromo-4,5-diethoxyphenyl)butyl]cyclopropanamine
CID 65305843
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
1,2-diethoxy-4-(3-ethoxypropyl)benzene
CID 142643440
N-[2-[2-(3-bromo-4-ethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 104662902
N-[[3-ethoxy-4-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471427

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine (CID 65300915) is N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine is CCOc1ccc(CCCCCNC2CC2)cc1OCC.
What is the InChIKey of N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine?
The InChIKey is DYLOGCMBVDDQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-20-17-12-9-15(14-18(17)21-4-2)8-6-5-7-13-19-16-10-11-16/h9,12,14,16,19H,3-8,10-11,13H2,1-2H3.
What are the key properties of N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine?
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine is sourced from PubChem (CID 65300915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).