N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C13H28N2O — CID 106616009

IUPACN-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCOCCN(CCC)CC1CCCN1
InChIInChI=1S/C13H28N2O/c1-3-8-15(9-11-16-10-4-2)12-13-6-5-7-14-13/h13-14H,3-12H2,1-2H3
InChIKeyLEKJIOMUBMRMLQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds9

About N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106616009) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106616009
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCOCCN(CCC)CC1CCCN1
InChIInChI=1S/C13H28N2O/c1-3-8-15(9-11-16-10-4-2)12-13-6-5-7-14-13/h13-14H,3-12H2,1-2H3
InChIKeyLEKJIOMUBMRMLQ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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

2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 82954746
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615615
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
2-ethoxy-N-(2-ethoxyethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 82954745
N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616758
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106616009) is N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCOCCN(CCC)CC1CCCN1.
What is the InChIKey of N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is LEKJIOMUBMRMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-8-15(9-11-16-10-4-2)12-13-6-5-7-14-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106616009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).