N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine

C10H17NS — CID 63889500

IUPACN-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine
SMILESCNCc1cc(CC(C)C)cs1
InChIInChI=1S/C10H17NS/c1-8(2)4-9-5-10(6-11-3)12-7-9/h5,7-8,11H,4,6H2,1-3H3
InChIKeyDRQYYUSSLTZEAI-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.67
Rot. Bonds4

About N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine

N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine (PubChem CID 63889500) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine
PubChem CID63889500
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine
SMILESCNCc1cc(CC(C)C)cs1
InChIInChI=1S/C10H17NS/c1-8(2)4-9-5-10(6-11-3)12-7-9/h5,7-8,11H,4,6H2,1-3H3
InChIKeyDRQYYUSSLTZEAI-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine (CID 63889500) is N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine is CNCc1cc(CC(C)C)cs1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine?
The InChIKey is DRQYYUSSLTZEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-8(2)4-9-5-10(6-11-3)12-7-9/h5,7-8,11H,4,6H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine?
N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine has a molecular weight of 183.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 63889500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).