2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine

C13H24N2 — CID 107399383

IUPAC2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine
SMILESCCN(CC(C)=C1CNC1)CC1CCC1
InChIInChI=1S/C13H24N2/c1-3-15(10-12-5-4-6-12)9-11(2)13-7-14-8-13/h12,14H,3-10H2,1-2H3
InChIKeyPPPGLVMWPFGKET-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.03
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine

2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine (PubChem CID 107399383) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine
PubChem CID107399383
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine
SMILESCCN(CC(C)=C1CNC1)CC1CCC1
InChIInChI=1S/C13H24N2/c1-3-15(10-12-5-4-6-12)9-11(2)13-7-14-8-13/h12,14H,3-10H2,1-2H3
InChIKeyPPPGLVMWPFGKET-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.03
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-(azetidin-3-ylidene)-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 105756214
2-(azetidin-3-ylidene)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 105756572
2-(azetidin-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
CID 107398916
N-[2-(azetidin-3-ylidene)propyl]-N-(3-methylbutyl)cyclopentanamine
CID 113551416
1-[[2-(azetidin-3-ylidene)propyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 113714854
N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 114011168
1-[2-(Azetidin-3-ylidene)propyl]-4-methylpiperidine
CID 116679172
1-[2-(Azetidin-3-ylidene)propyl]-3-methylpiperidine
CID 116679191
N-[2-(azetidin-3-ylidene)propyl]-N-methylbutan-1-amine
CID 116679230
N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine
CID 116679248
1-[2-(Azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine
CID 116679275
N-[2-(azetidin-3-ylidene)propyl]-N-butylbutan-1-amine
CID 116679326

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine (CID 107399383) is 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine is CCN(CC(C)=C1CNC1)CC1CCC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine?
The InChIKey is PPPGLVMWPFGKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-15(10-12-5-4-6-12)9-11(2)13-7-14-8-13/h12,14H,3-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine?
2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 107399383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).