N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine

C15H31NO2 — CID 103412314

IUPACN-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
SMILESCOCCOCCCC(CNC1CC1)CC(C)C
InChIInChI=1S/C15H31NO2/c1-13(2)11-14(12-16-15-6-7-15)5-4-8-18-10-9-17-3/h13-16H,4-12H2,1-3H3
InChIKeyRIIFQRUFJVJBDD-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.84
Rot. Bonds12

About N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine

N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine (PubChem CID 103412314) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
PubChem CID103412314
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
SMILESCOCCOCCCC(CNC1CC1)CC(C)C
InChIInChI=1S/C15H31NO2/c1-13(2)11-14(12-16-15-6-7-15)5-4-8-18-10-9-17-3/h13-16H,4-12H2,1-3H3
InChIKeyRIIFQRUFJVJBDD-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.84
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-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
CID 55082814
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
N-[2-cyclopentyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412730
N-[2-(2-methylpropyl)undecyl]cyclopropanamine
CID 63497802
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropyl]cyclopropanamine
CID 103075099
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine
CID 113427443
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
CID 62514503
N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
CID 114201229
N-[2-(2-methoxyethyl)pentyl]cyclopropanamine
CID 62528132

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine (CID 103412314) is N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine is COCCOCCCC(CNC1CC1)CC(C)C.
What is the InChIKey of N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine?
The InChIKey is RIIFQRUFJVJBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2)11-14(12-16-15-6-7-15)5-4-8-18-10-9-17-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine?
N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine has a molecular weight of 257.42 g/mol, XLogP of 2.84, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine is sourced from PubChem (CID 103412314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).