2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine

C10H19NS — CID 57186297

IUPAC2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(C)CC=CS1
InChIInChI=1S/C10H19NS/c1-9(2)7-11-8-10(3)5-4-6-12-10/h4,6,9,11H,5,7-8H2,1-3H3
InChIKeyGSDXJPOCOQYGPY-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.64
Rot. Bonds4

About 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine

2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine (PubChem CID 57186297) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
PubChem CID57186297
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(C)CC=CS1
InChIInChI=1S/C10H19NS/c1-9(2)7-11-8-10(3)5-4-6-12-10/h4,6,9,11H,5,7-8H2,1-3H3
InChIKeyGSDXJPOCOQYGPY-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57000948
N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine
CID 57082603
N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57261495
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
(2R)-N-(2,3-dihydrothiophen-3-ylmethyl)butan-2-amine
CID 66612967
1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine
CID 89068660
1-(2,3-dihydrothiophen-2-yl)-N-methylmethanamine
CID 89258846
(Z)-5-(ethylamino)-4-methylpent-1-ene-1-thiol
CID 89583688
3-(2,3-Dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118549058
3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine
CID 123829902

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine (CID 57186297) is 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine is CC(C)CNCC1(C)CC=CS1.
What is the InChIKey of 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine?
The InChIKey is GSDXJPOCOQYGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2)7-11-8-10(3)5-4-6-12-10/h4,6,9,11H,5,7-8H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine?
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 57186297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).