N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine

C15H29NO2 — CID 62110714

IUPACN-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine
SMILESCCCCOCCOC1(CNC2CC2)CCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-10-17-11-12-18-15(8-4-5-9-15)13-16-14-6-7-14/h14,16H,2-13H2,1H3
InChIKeyZDUFQYIFKQOFOE-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds10

About N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine

N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine (PubChem CID 62110714) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine
PubChem CID62110714
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine
SMILESCCCCOCCOC1(CNC2CC2)CCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-10-17-11-12-18-15(8-4-5-9-15)13-16-14-6-7-14/h14,16H,2-13H2,1H3
InChIKeyZDUFQYIFKQOFOE-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
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-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 112589392
N-[[1-(3-methylbutoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036334
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875
N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
CID 63685434
N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine
CID 55036627
methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate
CID 103272535

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine (CID 62110714) is N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine is CCCCOCCOC1(CNC2CC2)CCCC1.
What is the InChIKey of N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is ZDUFQYIFKQOFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-10-17-11-12-18-15(8-4-5-9-15)13-16-14-6-7-14/h14,16H,2-13H2,1H3.
What are the key properties of N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine?
N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 255.40 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62110714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).