N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine

C8H15NS — CID 57002242

IUPACN,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine
SMILESCN(C)CC1(C)CC=CS1
InChIInChI=1S/C8H15NS/c1-8(7-9(2)3)5-4-6-10-8/h4,6H,5,7H2,1-3H3
InChIKeySCPMWBHQAXDQGC-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds2

About N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine

N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine (PubChem CID 57002242) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine
PubChem CID57002242
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine
SMILESCN(C)CC1(C)CC=CS1
InChIInChI=1S/C8H15NS/c1-8(7-9(2)3)5-4-6-10-8/h4,6H,5,7H2,1-3H3
InChIKeySCPMWBHQAXDQGC-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3H-thiophene-2-carbaldehyde
CID 53400253
2,2-dimethyl-3,4-dihydrothiopyran
CID 123585095
2-amino-3H-thiophen-2-ol
CID 139033886
[(2R)-5-hydroxy-2-[2-(2-methyl-3H-thiophen-2-yl)ethyl-propylamino]-3,4-dihydro-1H-naphthalen-2-yl]-methylidyneazanium
CID 163633241
2-(methoxymethyl)-2-propyl-3H-thiophene
CID 70131569
1-(3-fluoro-1-methylazetidin-3-yl)-N,N-dimethylmethanamine
CID 147431270
(2S)-2-methoxy-2-(2-methyl-3H-thiophen-2-yl)acetic acid
CID 167015604
2-(2-amino-3H-thiophen-2-yl)acetic acid
CID 21331019
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
N,N-dimethyl-1-(1-nitrocyclohexa-2,5-dien-1-yl)methanamine
CID 69020192
N,N,N'-trimethyl-N'-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine
CID 122468443
1-[3-[(dimethylamino)methyl]-1,4-dithiin-2-yl]-N,N-dimethylmethanamine
CID 132941924

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine (CID 57002242) is N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine is CN(C)CC1(C)CC=CS1.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine?
The InChIKey is SCPMWBHQAXDQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-8(7-9(2)3)5-4-6-10-8/h4,6H,5,7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine?
N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine is sourced from PubChem (CID 57002242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).