N-methylpropan-2-amine;2-methylthiophene

C9H17NS — CID 142896326

IUPACN-methylpropan-2-amine;2-methylthiophene
SMILESCNC(C)C.Cc1cccs1
InChIInChI=1S/C5H6S.C4H11N/c1-5-3-2-4-6-5;1-4(2)5-3/h2-4H,1H3;4-5H,1-3H3
InChIKeyQTHNHIAXMDNZCD-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.67
Rot. Bonds1

About N-methylpropan-2-amine;2-methylthiophene

N-methylpropan-2-amine;2-methylthiophene (PubChem CID 142896326) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-methylpropan-2-amine;2-methylthiophene.

Molecular Properties

Compound NameN-methylpropan-2-amine;2-methylthiophene
PubChem CID142896326
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-methylpropan-2-amine;2-methylthiophene
SMILESCNC(C)C.Cc1cccs1
InChIInChI=1S/C5H6S.C4H11N/c1-5-3-2-4-6-5;1-4(2)5-3/h2-4H,1H3;4-5H,1-3H3
InChIKeyQTHNHIAXMDNZCD-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methiopropamine
CID 436156
Thiopheneethanamine
CID 116521
1-(Thiophen-2-yl)propan-2-amine hydrochloride
CID 12280954
Methiopropamine (N-methyl-1-(thiophen-2-yl)propan-2-amine)
CID 458582
1-(2-Thienyl)-1-aminoethane
CID 238233
3-(Thiophen-2-yl)propan-1-amine
CID 40835
2-(2-Aminopropyl)thiophene
CID 6484133
N-Methyl-1-(2-thienyl)ethanamine hydrochloride
CID 458575
Methyl[1-(thiophen-2-yl)ethyl]amine
CID 458576
Methyl-(2-thiophen-2-yl-allyl)-amine
CID 13583283
1-Methyl-2-thiophen-2-yl-allylamine
CID 13583287
N-Methyl-2-(thiophen-2-yl)ethan-1-amine
CID 436154

Frequently Asked Questions

What is the IUPAC name of N-methylpropan-2-amine;2-methylthiophene?
The IUPAC name of N-methylpropan-2-amine;2-methylthiophene (CID 142896326) is N-methylpropan-2-amine;2-methylthiophene.
What is the SMILES notation for N-methylpropan-2-amine;2-methylthiophene?
The canonical SMILES for N-methylpropan-2-amine;2-methylthiophene is CNC(C)C.Cc1cccs1.
What is the InChIKey of N-methylpropan-2-amine;2-methylthiophene?
The InChIKey is QTHNHIAXMDNZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S.C4H11N/c1-5-3-2-4-6-5;1-4(2)5-3/h2-4H,1H3;4-5H,1-3H3.
What are the key properties of N-methylpropan-2-amine;2-methylthiophene?
N-methylpropan-2-amine;2-methylthiophene has a molecular weight of 171.31 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-2-amine;2-methylthiophene is sourced from PubChem (CID 142896326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).