2-methyl-N,2-dipropyl-3H-thiophen-3-amine

C11H21NS — CID 57027759

IUPAC2-methyl-N,2-dipropyl-3H-thiophen-3-amine
SMILESCCCNC1C=CSC1(C)CCC
InChIInChI=1S/C11H21NS/c1-4-7-11(3)10(6-9-13-11)12-8-5-2/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyFGMLSKADABUDMH-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.17
Rot. Bonds5

About 2-methyl-N,2-dipropyl-3H-thiophen-3-amine

2-methyl-N,2-dipropyl-3H-thiophen-3-amine (PubChem CID 57027759) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-methyl-N,2-dipropyl-3H-thiophen-3-amine.

Molecular Properties

Compound Name2-methyl-N,2-dipropyl-3H-thiophen-3-amine
PubChem CID57027759
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-methyl-N,2-dipropyl-3H-thiophen-3-amine
SMILESCCCNC1C=CSC1(C)CCC
InChIInChI=1S/C11H21NS/c1-4-7-11(3)10(6-9-13-11)12-8-5-2/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyFGMLSKADABUDMH-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
CID 44447164
N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
CID 54101904
N,2-dipropyl-2,3-dihydrothiophen-3-amine
CID 54478450
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
N-(2-methyl-2-propyl-3H-thiophen-3-yl)acetamide
CID 57068739
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
2-Pentyl-5,5-bis(prop-2-enyl)-1,3-thiazolidine
CID 69921126
(3S)-N,5-dimethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88936056
(3S)-N-ethyl-4-methylidene-1-methylsulfanylheptan-3-amine
CID 89354545
(3S)-2-methyl-5-methylsulfanyl-N-pentylpent-1-en-3-amine
CID 89733499
(3S)-N-ethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 89976814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,2-dipropyl-3H-thiophen-3-amine?
The IUPAC name of 2-methyl-N,2-dipropyl-3H-thiophen-3-amine (CID 57027759) is 2-methyl-N,2-dipropyl-3H-thiophen-3-amine.
What is the SMILES notation for 2-methyl-N,2-dipropyl-3H-thiophen-3-amine?
The canonical SMILES for 2-methyl-N,2-dipropyl-3H-thiophen-3-amine is CCCNC1C=CSC1(C)CCC.
What is the InChIKey of 2-methyl-N,2-dipropyl-3H-thiophen-3-amine?
The InChIKey is FGMLSKADABUDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-7-11(3)10(6-9-13-11)12-8-5-2/h6,9-10,12H,4-5,7-8H2,1-3H3.
What are the key properties of 2-methyl-N,2-dipropyl-3H-thiophen-3-amine?
2-methyl-N,2-dipropyl-3H-thiophen-3-amine has a molecular weight of 199.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,2-dipropyl-3H-thiophen-3-amine is sourced from PubChem (CID 57027759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).