2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine

C17H29NS — CID 81025637

IUPAC2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1Cc1ccsc1
InChIInChI=1S/C17H29NS/c1-14(2)11-18-12-17-7-5-3-4-6-16(17)10-15-8-9-19-13-15/h8-9,13-14,16-18H,3-7,10-12H2,1-2H3
InChIKeyVUTGVBUMPICZQI-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.73
Rot. Bonds6

About 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine

2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine (PubChem CID 81025637) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
PubChem CID81025637
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCCC1Cc1ccsc1
InChIInChI=1S/C17H29NS/c1-14(2)11-18-12-17-7-5-3-4-6-16(17)10-15-8-9-19-13-15/h8-9,13-14,16-18H,3-7,10-12H2,1-2H3
InChIKeyVUTGVBUMPICZQI-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine (CID 81025637) is 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine is CC(C)CNCC1CCCCCC1Cc1ccsc1.
What is the InChIKey of 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine?
The InChIKey is VUTGVBUMPICZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-14(2)11-18-12-17-7-5-3-4-6-16(17)10-15-8-9-19-13-15/h8-9,13-14,16-18H,3-7,10-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine?
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81025637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).