N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

C13H26N2O — CID 114465627

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESC=C(C)COCCNC(C)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-11(2)10-16-8-7-14-12(3)9-13-5-4-6-15-13/h12-15H,1,4-10H2,2-3H3
InChIKeyIXHDVHMPQNUYDC-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.70
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 114465627) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID114465627
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESC=C(C)COCCNC(C)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-11(2)10-16-8-7-14-12(3)9-13-5-4-6-15-13/h12-15H,1,4-10H2,2-3H3
InChIKeyIXHDVHMPQNUYDC-UHFFFAOYSA-N
XLogP1.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 39063097
2-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 62332851
2-(2-Methylidenebutoxymethyl)pyrrolidine
CID 66045266
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-3-amine
CID 103921985
2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639503
2-N-[2-(2-methylprop-2-enoxy)ethyl]undecane-1,2-diamine
CID 108410644
1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 113343766
N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine
CID 113350877
N-[2-(2-methylprop-2-enoxy)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 113373392
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 113589143
N-[2-(2-methylprop-2-enoxy)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 113589144

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 114465627) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is C=C(C)COCCNC(C)CC1CCCN1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is IXHDVHMPQNUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)10-16-8-7-14-12(3)9-13-5-4-6-15-13/h12-15H,1,4-10H2,2-3H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 114465627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).