N,N-dimethyl-3-propylthiophen-2-amine

C9H15NS — CID 70412972

IUPACN,N-dimethyl-3-propylthiophen-2-amine
SMILESCCCc1ccsc1N(C)C
InChIInChI=1S/C9H15NS/c1-4-5-8-6-7-11-9(8)10(2)3/h6-7H,4-5H2,1-3H3
InChIKeyZLJXQNZNAZLBLB-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.77
Rot. Bonds3

About N,N-dimethyl-3-propylthiophen-2-amine

N,N-dimethyl-3-propylthiophen-2-amine (PubChem CID 70412972) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N,N-dimethyl-3-propylthiophen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-propylthiophen-2-amine
PubChem CID70412972
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN,N-dimethyl-3-propylthiophen-2-amine
SMILESCCCc1ccsc1N(C)C
InChIInChI=1S/C9H15NS/c1-4-5-8-6-7-11-9(8)10(2)3/h6-7H,4-5H2,1-3H3
InChIKeyZLJXQNZNAZLBLB-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propylthiophen-2-amine?
The IUPAC name of N,N-dimethyl-3-propylthiophen-2-amine (CID 70412972) is N,N-dimethyl-3-propylthiophen-2-amine.
What is the SMILES notation for N,N-dimethyl-3-propylthiophen-2-amine?
The canonical SMILES for N,N-dimethyl-3-propylthiophen-2-amine is CCCc1ccsc1N(C)C.
What is the InChIKey of N,N-dimethyl-3-propylthiophen-2-amine?
The InChIKey is ZLJXQNZNAZLBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-5-8-6-7-11-9(8)10(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-3-propylthiophen-2-amine?
N,N-dimethyl-3-propylthiophen-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propylthiophen-2-amine is sourced from PubChem (CID 70412972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).