N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine

C9H18N2 — CID 66183253

IUPACN-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine
SMILESC=C(C)CN(CC)C1CNC1
InChIInChI=1S/C9H18N2/c1-4-11(7-8(2)3)9-5-10-6-9/h9-10H,2,4-7H2,1,3H3
InChIKeyRRMCTGXUKBNBFH-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds4

About N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine

N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine (PubChem CID 66183253) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine
PubChem CID66183253
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine
SMILESC=C(C)CN(CC)C1CNC1
InChIInChI=1S/C9H18N2/c1-4-11(7-8(2)3)9-5-10-6-9/h9-10H,2,4-7H2,1,3H3
InChIKeyRRMCTGXUKBNBFH-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine (CID 66183253) is N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine is C=C(C)CN(CC)C1CNC1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine?
The InChIKey is RRMCTGXUKBNBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-11(7-8(2)3)9-5-10-6-9/h9-10H,2,4-7H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine?
N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)azetidin-3-amine is sourced from PubChem (CID 66183253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).