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

C17H30N2S — CID 79052153

IUPAC2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCNC(c1cccs1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H30N2S/c1-4-11-18-16(15-10-9-14-20-15)17(2,3)19-12-7-5-6-8-13-19/h9-10,14,16,18H,4-8,11-13H2,1-3H3
InChIKeyPRSCUXFXPVIUSK-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.44
Rot. Bonds6

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

2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 79052153) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
PubChem CID79052153
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCNC(c1cccs1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H30N2S/c1-4-11-18-16(15-10-9-14-20-15)17(2,3)19-12-7-5-6-8-13-19/h9-10,14,16,18H,4-8,11-13H2,1-3H3
InChIKeyPRSCUXFXPVIUSK-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79051539
2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
CID 79052192
N-ethyl-2-methyl-2-morpholin-4-yl-1-thiophen-2-ylpropan-1-amine
CID 79052246
1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051428
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833059
1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 106653570
1-(4-methoxyphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051291
2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 79045060
1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79602355
2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79997745
1-(2,5-difluorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051292

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine (CID 79052153) is 2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine is CCCNC(c1cccs1)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is PRSCUXFXPVIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-11-18-16(15-10-9-14-20-15)17(2,3)19-12-7-5-6-8-13-19/h9-10,14,16,18H,4-8,11-13H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine?
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79052153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).