N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine

C14H27NO — CID 112570082

IUPACN-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine
SMILESCCOCCC(CNC1CC1)C1CCCC1
InChIInChI=1S/C14H27NO/c1-2-16-10-9-13(11-15-14-7-8-14)12-5-3-4-6-12/h12-15H,2-11H2,1H3
InChIKeyLYZZJPHASYXVJH-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds8

About N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine

N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine (PubChem CID 112570082) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine
PubChem CID112570082
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine
SMILESCCOCCC(CNC1CC1)C1CCCC1
InChIInChI=1S/C14H27NO/c1-2-16-10-9-13(11-15-14-7-8-14)12-5-3-4-6-12/h12-15H,2-11H2,1H3
InChIKeyLYZZJPHASYXVJH-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine
CID 62528732
2-cyclopentyl-5-ethoxy-N-methylpentan-1-amine
CID 112569754
N-[2-(2-ethoxyethyl)-3-methylbutyl]cyclopropanamine
CID 62529954
N-[2-cyclopentyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412730
N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine
CID 81015192
N-(2-cyclohexyl-4-methylpentyl)cyclopropanamine
CID 82931479
(1-cyclohexyl-3-ethoxypropyl)hydrazine
CID 105282116
2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106457280
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 104566896
N-(2-cyclopentyl-4,6-dimethylheptyl)cyclopropanamine
CID 114201281
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine?
The IUPAC name of N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine (CID 112570082) is N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine.
What is the SMILES notation for N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine?
The canonical SMILES for N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine is CCOCCC(CNC1CC1)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine?
The InChIKey is LYZZJPHASYXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-16-10-9-13(11-15-14-7-8-14)12-5-3-4-6-12/h12-15H,2-11H2,1H3.
What are the key properties of N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine?
N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine is sourced from PubChem (CID 112570082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).