2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine

C11H16N2S — CID 116679495

IUPAC2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)=C1CNC1
InChIInChI=1S/C11H16N2S/c1-9(10-6-13-7-10)5-12-8-11-3-2-4-14-11/h2-4,12-13H,5-8H2,1H3
InChIKeyVXXIWUMOVOSMKK-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.76
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 116679495) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID116679495
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)=C1CNC1
InChIInChI=1S/C11H16N2S/c1-9(10-6-13-7-10)5-12-8-11-3-2-4-14-11/h2-4,12-13H,5-8H2,1H3
InChIKeyVXXIWUMOVOSMKK-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 116680460
2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 60690026
(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 106437449
(Z)-3-methyl-4-(thiophen-2-ylmethylamino)but-2-enoic acid
CID 103237384
3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine
CID 54396811
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
4-[(thiophen-2-ylmethylamino)methyl]heptan-4-ol
CID 111436964
2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 116679496
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 116679495) is 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is VXXIWUMOVOSMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9(10-6-13-7-10)5-12-8-11-3-2-4-14-11/h2-4,12-13H,5-8H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 208.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 116679495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).