N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

C10H20N2O — CID 114465678

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1CCNC1
InChIInChI=1S/C10H20N2O/c1-9(2)8-13-6-5-12-10-3-4-11-7-10/h10-12H,1,3-8H2,2H3
InChIKeyHPSDCRMYQWRBIO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.53
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (PubChem CID 114465678) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
PubChem CID114465678
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1CCNC1
InChIInChI=1S/C10H20N2O/c1-9(2)8-13-6-5-12-10-3-4-11-7-10/h10-12H,1,3-8H2,2H3
InChIKeyHPSDCRMYQWRBIO-UHFFFAOYSA-N
XLogP0.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.53
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

2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070552
N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070553
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103070556
2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639503
1-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopropan-1-amine
CID 106661390
N'-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 107446237
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 107912021
1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 113343766
3-(aminomethyl)-1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 113589277
N-[2-(2-methylprop-2-enoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 114465627
3-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1,3-diamine
CID 114465673
N'-[2-(2-methylprop-2-enoxy)ethyl]propane-1,3-diamine
CID 114465895

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (CID 114465678) is N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine is C=C(C)COCCNC1CCNC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is HPSDCRMYQWRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)8-13-6-5-12-10-3-4-11-7-10/h10-12H,1,3-8H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.53, 6 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]pyrrolidin-3-amine is sourced from PubChem (CID 114465678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).