N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C13H26N2O — CID 62511911

IUPACN-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCCOCCCN1CCC(CNC2CC2)C1
InChIInChI=1S/C13H26N2O/c1-2-16-9-3-7-15-8-6-12(11-15)10-14-13-4-5-13/h12-14H,2-11H2,1H3
InChIKeyBNEVHUYWJFIRHG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds8

About N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 62511911) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID62511911
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCCOCCCN1CCC(CNC2CC2)C1
InChIInChI=1S/C13H26N2O/c1-2-16-9-3-7-15-8-6-12(11-15)10-14-13-4-5-13/h12-14H,2-11H2,1H3
InChIKeyBNEVHUYWJFIRHG-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]cyclopropanamine
CID 103410146
N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63965430
N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319
N-[[1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513727
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
CID 106453510
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63243855

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 62511911) is N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine is CCOCCCN1CCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is BNEVHUYWJFIRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-16-9-3-7-15-8-6-12(11-15)10-14-13-4-5-13/h12-14H,2-11H2,1H3.
What are the key properties of N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62511911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).