N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C13H26N2O — CID 104979258

IUPACN-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCOCCCN(CC1CCCN1)C1CC1
InChIInChI=1S/C13H26N2O/c1-2-16-10-4-9-15(13-6-7-13)11-12-5-3-8-14-12/h12-14H,2-11H2,1H3
InChIKeyRQZMCEWUFOEXPS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds8

About N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 104979258) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID104979258
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCOCCCN(CC1CCCN1)C1CC1
InChIInChI=1S/C13H26N2O/c1-2-16-10-4-9-15(13-6-7-13)11-12-5-3-8-14-12/h12-14H,2-11H2,1H3
InChIKeyRQZMCEWUFOEXPS-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
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-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 82954746
N-(3,3-diethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599695
4-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106605809
N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519918
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-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
2-ethoxy-N-(2-ethoxyethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 82954745
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 106631546
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106631586
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 104979258) is N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is CCOCCCN(CC1CCCN1)C1CC1.
What is the InChIKey of N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is RQZMCEWUFOEXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-16-10-4-9-15(13-6-7-13)11-12-5-3-8-14-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 104979258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).