2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine

C16H28N2S — CID 79051539

IUPAC2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCNC(c1cccs1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H28N2S/c1-4-17-15(14-10-9-13-19-14)16(2,3)18-11-7-5-6-8-12-18/h9-10,13,15,17H,4-8,11-12H2,1-3H3
InChIKeySRWWGGZTSPPCAP-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.05
Rot. Bonds5

About 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine

2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 79051539) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID79051539
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCNC(c1cccs1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C16H28N2S/c1-4-17-15(14-10-9-13-19-14)16(2,3)18-11-7-5-6-8-12-18/h9-10,13,15,17H,4-8,11-12H2,1-3H3
InChIKeySRWWGGZTSPPCAP-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
N-ethyl-2-methyl-2-morpholin-4-yl-1-thiophen-2-ylpropan-1-amine
CID 79052246
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833059
N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 79044961
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
CID 79045109
2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
CID 79050582
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79052030
2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 116726916
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79050671
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056070
N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 116544657

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 79051539) is 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine is CCNC(c1cccs1)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is SRWWGGZTSPPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-17-15(14-10-9-13-19-14)16(2,3)18-11-7-5-6-8-12-18/h9-10,13,15,17H,4-8,11-12H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine?
2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79051539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).