N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

C17H28N2S — CID 62738648

IUPACN-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCC(c1cccs1)N1C2CCC1CC(NCC)C2
InChIInChI=1S/C17H28N2S/c1-3-6-16(17-7-5-10-20-17)19-14-8-9-15(19)12-13(11-14)18-4-2/h5,7,10,13-16,18H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyMWDIKXKUSNJVQQ-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.19
Rot. Bonds6

About N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738648) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738648
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCC(c1cccs1)N1C2CCC1CC(NCC)C2
InChIInChI=1S/C17H28N2S/c1-3-6-16(17-7-5-10-20-17)19-14-8-9-15(19)12-13(11-14)18-4-2/h5,7,10,13-16,18H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyMWDIKXKUSNJVQQ-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738480
N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63292313
N-propyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-3-amine
CID 54962549
N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511490
N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62740022
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
N-ethyl-8-[1-(3-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739517
N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66242436
1-cyclopropyl-5-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 115713136
4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
CID 168683619

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62738648) is N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is CCCC(c1cccs1)N1C2CCC1CC(NCC)C2.
What is the InChIKey of N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MWDIKXKUSNJVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-6-16(17-7-5-10-20-17)19-14-8-9-15(19)12-13(11-14)18-4-2/h5,7,10,13-16,18H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 292.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).