N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine

C11H19NS — CID 65238696

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)sc1C
InChIInChI=1S/C11H19NS/c1-8(2)6-12-7-11-5-9(3)10(4)13-11/h5,8,12H,6-7H2,1-4H3
InChIKeySBCVNUADMWARHD-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.11
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 65238696) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID65238696
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1cc(CNCC(C)C)sc1C
InChIInChI=1S/C11H19NS/c1-8(2)6-12-7-11-5-9(3)10(4)13-11/h5,8,12H,6-7H2,1-4H3
InChIKeySBCVNUADMWARHD-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410494
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
3-[(4,5-dimethylthiophen-2-yl)methylamino]-2-methylpropanenitrile
CID 65243776
N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729702
1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylheptane-1,6-diamine
CID 65296258
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77061641
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65246415
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 65241403
N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 65238850
N-[[4-(azocan-1-ylmethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80719506
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 65243483

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine (CID 65238696) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine is Cc1cc(CNCC(C)C)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is SBCVNUADMWARHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-8(2)6-12-7-11-5-9(3)10(4)13-11/h5,8,12H,6-7H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 3.11, 4 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]-2-methylpropan-1-amine is sourced from PubChem (CID 65238696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).