N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine

C11H22N2 — CID 116679302

IUPACN-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CCC1CNC1
InChIInChI=1S/C11H22N2/c1-4-13(9-10(2)3)6-5-11-7-12-8-11/h11-12H,2,4-9H2,1,3H3
InChIKeyUXGFJBNEWIKGKT-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine

N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 116679302) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID116679302
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CCC1CNC1
InChIInChI=1S/C11H22N2/c1-4-13(9-10(2)3)6-5-11-7-12-8-11/h11-12H,2,4-9H2,1,3H3
InChIKeyUXGFJBNEWIKGKT-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(azetidin-3-yl)ethyl-ethylamino]-N-ethylacetamide
CID 107390894
N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 116679782
N,N-diethyl-2-[(3S)-pyrrolidin-3-yl]ethanamine
CID 126580755
4-(azetidin-3-yl)-N,N-dipropylbut-1-en-2-amine
CID 166955539
ethane;3-(2-methylprop-2-enyl)azetidine
CID 143794874
2-[ethyl(2-piperidin-3-ylethyl)amino]acetamide
CID 103102685
2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine
CID 107392075
N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 116679847
N-(2-methylprop-2-enyl)-N-propylazetidin-3-amine
CID 66215524
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 62834009
N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine
CID 28599551
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 116679302) is N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)CCC1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is UXGFJBNEWIKGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-13(9-10(2)3)6-5-11-7-12-8-11/h11-12H,2,4-9H2,1,3H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 116679302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).