1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine

C10H16N2S — CID 127006298

IUPAC1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine
SMILESCc1cc(CNC2CC(N)C2)cs1
InChIInChI=1S/C10H16N2S/c1-7-2-8(6-13-7)5-12-10-3-9(11)4-10/h2,6,9-10,12H,3-5,11H2,1H3
InChIKeyABUPQZKAJOINRY-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.64
Rot. Bonds3

About 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine

1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine (PubChem CID 127006298) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine
PubChem CID127006298
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine
SMILESCc1cc(CNC2CC(N)C2)cs1
InChIInChI=1S/C10H16N2S/c1-7-2-8(6-13-7)5-12-10-3-9(11)4-10/h2,6,9-10,12H,3-5,11H2,1H3
InChIKeyABUPQZKAJOINRY-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
Methyl[1-(thiophen-2-yl)ethyl]amine
CID 458576
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
1-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 16192824
N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 961382

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine (CID 127006298) is 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine is Cc1cc(CNC2CC(N)C2)cs1.
What is the InChIKey of 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine?
The InChIKey is ABUPQZKAJOINRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-2-8(6-13-7)5-12-10-3-9(11)4-10/h2,6,9-10,12H,3-5,11H2,1H3.
What are the key properties of 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine?
1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine has a molecular weight of 196.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 127006298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).