N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine

C11H20N2 — CID 116680451

IUPACN-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine
SMILESCC(CN(C)C1CCC1)=C1CNC1
InChIInChI=1S/C11H20N2/c1-9(10-6-12-7-10)8-13(2)11-4-3-5-11/h11-12H,3-8H2,1-2H3
InChIKeyRAHQJLPZLPQSBR-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.39
Rot. Bonds3

About N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine

N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine (PubChem CID 116680451) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine
PubChem CID116680451
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine
SMILESCC(CN(C)C1CCC1)=C1CNC1
InChIInChI=1S/C11H20N2/c1-9(10-6-12-7-10)8-13(2)11-4-3-5-11/h11-12H,3-8H2,1-2H3
InChIKeyRAHQJLPZLPQSBR-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.39
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

N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 116679790
2-(azetidin-3-ylidene)-N-methyl-N-prop-2-enylpropan-1-amine
CID 116680336
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine
CID 106439564
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
N-(chloromethyl)-N-methylcyclopentanamine
CID 115262941
1-[cyclopentyl(methyl)amino]-3-methylbutan-2-one
CID 79395457
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
[cyclopropyl(methyl)amino]methanol
CID 89240777
4-[2-(azetidin-3-ylidene)propyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 116679805

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine (CID 116680451) is N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine is CC(CN(C)C1CCC1)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine?
The InChIKey is RAHQJLPZLPQSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(10-6-12-7-10)8-13(2)11-4-3-5-11/h11-12H,3-8H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine?
N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine has a molecular weight of 180.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-N-methylcyclobutanamine is sourced from PubChem (CID 116680451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).