N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine

C11H20N2 — CID 116680427

IUPACN-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine
SMILESCC(CNC1(C)CCC1)=C1CNC1
InChIInChI=1S/C11H20N2/c1-9(10-7-12-8-10)6-13-11(2)4-3-5-11/h12-13H,3-8H2,1-2H3
InChIKeyFZJOYOHEBNAVRV-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.44
Rot. Bonds3

About N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine (PubChem CID 116680427) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine
PubChem CID116680427
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine
SMILESCC(CNC1(C)CCC1)=C1CNC1
InChIInChI=1S/C11H20N2/c1-9(10-7-12-8-10)6-13-11(2)4-3-5-11/h12-13H,3-8H2,1-2H3
InChIKeyFZJOYOHEBNAVRV-UHFFFAOYSA-N
XLogP1.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclohexan-1-amine
CID 116679830
2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 116680260
N-[2-(azetidin-3-ylidene)propyl]butan-1-amine
CID 116679538
N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine
CID 116679936
2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 116680409
N-(2,3-dichloroprop-2-enyl)-1-methylcyclobutan-1-amine
CID 104865691
2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 116680460
ethane;N-ethyl-1-methylcyclobutan-1-amine
CID 177037581
1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66046891
3-methyl-4-[(1-methylcyclohexyl)amino]but-2-enoic acid
CID 103244851
1-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 115877016
N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine
CID 116680451

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine (CID 116680427) is N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine is CC(CNC1(C)CCC1)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine?
The InChIKey is FZJOYOHEBNAVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(10-7-12-8-10)6-13-11(2)4-3-5-11/h12-13H,3-8H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 116680427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).