N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine

C9H18N2 — CID 66185296

IUPACN-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine
SMILESCC(C)=CCN(C)C1CNC1
InChIInChI=1S/C9H18N2/c1-8(2)4-5-11(3)9-6-10-7-9/h4,9-10H,5-7H2,1-3H3
InChIKeyRQDOZCICWZIRFW-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds3

About N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine

N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine (PubChem CID 66185296) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine
PubChem CID66185296
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine
SMILESCC(C)=CCN(C)C1CNC1
InChIInChI=1S/C9H18N2/c1-8(2)4-5-11(3)9-6-10-7-9/h4,9-10H,5-7H2,1-3H3
InChIKeyRQDOZCICWZIRFW-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine?
The IUPAC name of N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine (CID 66185296) is N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine is CC(C)=CCN(C)C1CNC1.
What is the InChIKey of N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine?
The InChIKey is RQDOZCICWZIRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)4-5-11(3)9-6-10-7-9/h4,9-10H,5-7H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine?
N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbut-2-enyl)azetidin-3-amine is sourced from PubChem (CID 66185296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).