1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine

C11H18N2S — CID 80562063

IUPAC1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine
SMILESCCc1ccsc1CNC1CC(N)C1
InChIInChI=1S/C11H18N2S/c1-2-8-3-4-14-11(8)7-13-10-5-9(12)6-10/h3-4,9-10,13H,2,5-7,12H2,1H3
InChIKeyVVBQFBACDNZVOV-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.89
Rot. Bonds4

About 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine

1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine (PubChem CID 80562063) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine
PubChem CID80562063
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine
SMILESCCc1ccsc1CNC1CC(N)C1
InChIInChI=1S/C11H18N2S/c1-2-8-3-4-14-11(8)7-13-10-5-9(12)6-10/h3-4,9-10,13H,2,5-7,12H2,1H3
InChIKeyVVBQFBACDNZVOV-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine (CID 80562063) is 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine is CCc1ccsc1CNC1CC(N)C1.
What is the InChIKey of 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine?
The InChIKey is VVBQFBACDNZVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-8-3-4-14-11(8)7-13-10-5-9(12)6-10/h3-4,9-10,13H,2,5-7,12H2,1H3.
What are the key properties of 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine?
1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine has a molecular weight of 210.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-ethylthiophen-2-yl)methyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80562063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).