N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine

C18H29NO2 — CID 103412311

IUPACN-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
SMILESCOCCOCCCC(CNC1CC1)Cc1ccccc1
InChIInChI=1S/C18H29NO2/c1-20-12-13-21-11-5-8-17(15-19-18-9-10-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-15H2,1H3
InChIKeyKNJHVOMMDXJTBR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.04
Rot. Bonds12

About N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine

N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine (PubChem CID 103412311) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
PubChem CID103412311
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
SMILESCOCCOCCCC(CNC1CC1)Cc1ccccc1
InChIInChI=1S/C18H29NO2/c1-20-12-13-21-11-5-8-17(15-19-18-9-10-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-15H2,1H3
InChIKeyKNJHVOMMDXJTBR-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.04
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-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 55083352
N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
CID 103412314
N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
CID 104649264
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
N-[2-cyclopentyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412730
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
N-(5-phenyl-2-propylpentyl)cyclopropanamine
CID 63498686
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282

Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine (CID 103412311) is N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine is COCCOCCCC(CNC1CC1)Cc1ccccc1.
What is the InChIKey of N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine?
The InChIKey is KNJHVOMMDXJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-20-12-13-21-11-5-8-17(15-19-18-9-10-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-15H2,1H3.
What are the key properties of N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine?
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 3.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 103412311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).