N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine

C13H23NS — CID 65246415

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
SMILESCc1cc(CNC(C)CC(C)C)sc1C
InChIInChI=1S/C13H23NS/c1-9(2)6-11(4)14-8-13-7-10(3)12(5)15-13/h7,9,11,14H,6,8H2,1-5H3
InChIKeyRTLJBFPGOHLPPV-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.89
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine (PubChem CID 65246415) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
PubChem CID65246415
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
SMILESCc1cc(CNC(C)CC(C)C)sc1C
InChIInChI=1S/C13H23NS/c1-9(2)6-11(4)14-8-13-7-10(3)12(5)15-13/h7,9,11,14H,6,8H2,1-5H3
InChIKeyRTLJBFPGOHLPPV-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 65246063
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
CID 65244115
methyl 2-[(4,5-dimethylthiophen-2-yl)methylamino]propanoate
CID 65243717
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
CID 65246414
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine
CID 115891774
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410494
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613006
1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107167584
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 65241403

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine (CID 65246415) is N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine is Cc1cc(CNC(C)CC(C)C)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine?
The InChIKey is RTLJBFPGOHLPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-9(2)6-11(4)14-8-13-7-10(3)12(5)15-13/h7,9,11,14H,6,8H2,1-5H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine has a molecular weight of 225.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 65246415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).