N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C14H28N2O — CID 104979302

IUPACN-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCCCOCCN(CC1CCCN1)C1CC1
InChIInChI=1S/C14H28N2O/c1-2-3-10-17-11-9-16(14-6-7-14)12-13-5-4-8-15-13/h13-15H,2-12H2,1H3
InChIKeyUFPBDVFLQBJLQE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds9

About N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 104979302) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID104979302
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCCCOCCN(CC1CCCN1)C1CC1
InChIInChI=1S/C14H28N2O/c1-2-3-10-17-11-9-16(14-6-7-14)12-13-5-4-8-15-13/h13-15H,2-12H2,1H3
InChIKeyUFPBDVFLQBJLQE-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
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-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258
4-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106605809
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-(3,3-diethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599695
N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604803
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519918

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 104979302) is N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is CCCCOCCN(CC1CCCN1)C1CC1.
What is the InChIKey of N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is UFPBDVFLQBJLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-10-17-11-9-16(14-6-7-14)12-13-5-4-8-15-13/h13-15H,2-12H2,1H3.
What are the key properties of N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 104979302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).