1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine

C16H28N2S — CID 65078689

IUPAC1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine
SMILESCCN1CCCC(NC(C)Cc2ccc(C)s2)CC1
InChIInChI=1S/C16H28N2S/c1-4-18-10-5-6-15(9-11-18)17-13(2)12-16-8-7-14(3)19-16/h7-8,13,15,17H,4-6,9-12H2,1-3H3
InChIKeyIRMSNBCJGXTZTB-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.45
Rot. Bonds5

About 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine

1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine (PubChem CID 65078689) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine
PubChem CID65078689
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine
SMILESCCN1CCCC(NC(C)Cc2ccc(C)s2)CC1
InChIInChI=1S/C16H28N2S/c1-4-18-10-5-6-15(9-11-18)17-13(2)12-16-8-7-14(3)19-16/h7-8,13,15,17H,4-6,9-12H2,1-3H3
InChIKeyIRMSNBCJGXTZTB-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
CID 65078736
1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine
CID 103784638
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propylcycloheptan-1-amine
CID 65091722
4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741971
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64745439
1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 54953167
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
CID 65074018
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine?
The IUPAC name of 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine (CID 65078689) is 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine is CCN1CCCC(NC(C)Cc2ccc(C)s2)CC1.
What is the InChIKey of 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine?
The InChIKey is IRMSNBCJGXTZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-18-10-5-6-15(9-11-18)17-13(2)12-16-8-7-14(3)19-16/h7-8,13,15,17H,4-6,9-12H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine?
1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine has a molecular weight of 280.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine is sourced from PubChem (CID 65078689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).