N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine

C14H30N2O3 — CID 104561963

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOCCOCCOCCNC(C)CN1CCCC1
InChIInChI=1S/C14H30N2O3/c1-14(13-16-6-3-4-7-16)15-5-8-18-11-12-19-10-9-17-2/h14-15H,3-13H2,1-2H3
InChIKeyLCPVPZGGBAUCOY-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.74
Rot. Bonds12

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 104561963) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID104561963
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOCCOCCOCCNC(C)CN1CCCC1
InChIInChI=1S/C14H30N2O3/c1-14(13-16-6-3-4-7-16)15-5-8-18-11-12-19-10-9-17-2/h14-15H,3-13H2,1-2H3
InChIKeyLCPVPZGGBAUCOY-UHFFFAOYSA-N
XLogP0.74
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 103178774
N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 106451807
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 106989617
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
N-methyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 62324218
3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine
CID 115919081
5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
CID 62228276
1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine
CID 104562116
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 104561963) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine is COCCOCCOCCNC(C)CN1CCCC1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is LCPVPZGGBAUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-14(13-16-6-3-4-7-16)15-5-8-18-11-12-19-10-9-17-2/h14-15H,3-13H2,1-2H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 274.40 g/mol, XLogP of 0.74, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 104561963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).