3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

C13H27N3O — CID 114466450

IUPAC3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1(CN)CC(C)N(C)C1
InChIInChI=1S/C13H27N3O/c1-11(2)8-17-6-5-15-13(9-14)7-12(3)16(4)10-13/h12,15H,1,5-10,14H2,2-4H3
InChIKeyFVTJHZZJEVRUAD-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.59
Rot. Bonds7

About 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (PubChem CID 114466450) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
PubChem CID114466450
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1(CN)CC(C)N(C)C1
InChIInChI=1S/C13H27N3O/c1-11(2)8-17-6-5-15-13(9-14)7-12(3)16(4)10-13/h12,15H,1,5-10,14H2,2-4H3
InChIKeyFVTJHZZJEVRUAD-UHFFFAOYSA-N
XLogP0.59
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (CID 114466450) is 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine is C=C(C)COCCNC1(CN)CC(C)N(C)C1.
What is the InChIKey of 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is FVTJHZZJEVRUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)8-17-6-5-15-13(9-14)7-12(3)16(4)10-13/h12,15H,1,5-10,14H2,2-4H3.
What are the key properties of 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 241.38 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 114466450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).