2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine

C19H33NS — CID 81025880

IUPAC2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCC1CCC(CNCC(C)C)C(Cc2ccsc2)C1
InChIInChI=1S/C19H33NS/c1-4-5-16-6-7-18(13-20-12-15(2)3)19(10-16)11-17-8-9-21-14-17/h8-9,14-16,18-20H,4-7,10-13H2,1-3H3
InChIKeyRWMAYVSFFJLLKA-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.37
Rot. Bonds8

About 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine

2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81025880) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81025880
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCC1CCC(CNCC(C)C)C(Cc2ccsc2)C1
InChIInChI=1S/C19H33NS/c1-4-5-16-6-7-18(13-20-12-15(2)3)19(10-16)11-17-8-9-21-14-17/h8-9,14-16,18-20H,4-7,10-13H2,1-3H3
InChIKeyRWMAYVSFFJLLKA-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine (CID 81025880) is 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine is CCCC1CCC(CNCC(C)C)C(Cc2ccsc2)C1.
What is the InChIKey of 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is RWMAYVSFFJLLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-4-5-16-6-7-18(13-20-12-15(2)3)19(10-16)11-17-8-9-21-14-17/h8-9,14-16,18-20H,4-7,10-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 307.55 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81025880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).