N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine

C13H21NS — CID 103562101

IUPACN-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1cscc1CNC1CC(C(C)C)C1
InChIInChI=1S/C13H21NS/c1-9(2)11-4-13(5-11)14-6-12-8-15-7-10(12)3/h7-9,11,13-14H,4-6H2,1-3H3
InChIKeyPAFDSVKCZFEGIA-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.58
Rot. Bonds4

About N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine

N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103562101) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103562101
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1cscc1CNC1CC(C(C)C)C1
InChIInChI=1S/C13H21NS/c1-9(2)11-4-13(5-11)14-6-12-8-15-7-10(12)3/h7-9,11,13-14H,4-6H2,1-3H3
InChIKeyPAFDSVKCZFEGIA-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine (CID 103562101) is N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine is Cc1cscc1CNC1CC(C(C)C)C1.
What is the InChIKey of N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is PAFDSVKCZFEGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9(2)11-4-13(5-11)14-6-12-8-15-7-10(12)3/h7-9,11,13-14H,4-6H2,1-3H3.
What are the key properties of N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine?
N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiophen-3-yl)methyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103562101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).