(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine

C11H19NS — CID 28669346

IUPAC(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
SMILESCC[C@H](C)[C@@H](C)NCc1cccs1
InChIInChI=1S/C11H19NS/c1-4-9(2)10(3)12-8-11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3/t9-,10+/m0/s1
InChIKeyGEEVXMUBNLQHLD-VHSXEESVSA-N
MW197.35 g/mol
LogP3.27
Rot. Bonds5

About (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine

(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine (PubChem CID 28669346) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
PubChem CID28669346
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
SMILESCC[C@H](C)[C@@H](C)NCc1cccs1
InChIInChI=1S/C11H19NS/c1-4-9(2)10(3)12-8-11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3/t9-,10+/m0/s1
InChIKeyGEEVXMUBNLQHLD-VHSXEESVSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61318743
ethyl 3-methyl-2-(thiophen-2-ylmethylamino)pentanoate
CID 61319361
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 10220540
1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115615676
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
CID 61000963
1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115654583
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
The IUPAC name of (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine (CID 28669346) is (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
The canonical SMILES for (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine is CC[C@H](C)[C@@H](C)NCc1cccs1.
What is the InChIKey of (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
The InChIKey is GEEVXMUBNLQHLD-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-9(2)10(3)12-8-11-6-5-7-13-11/h5-7,9-10,12H,4,8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine?
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 28669346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).