2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine

C16H26N2S — CID 62935626

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H26N2S/c17-13-14(15-5-4-12-19-15)18-10-8-16(9-11-18)6-2-1-3-7-16/h4-5,12,14H,1-3,6-11,13,17H2
InChIKeyJSQVFFLTJCOUJV-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.79
Rot. Bonds3

About 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine

2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine (PubChem CID 62935626) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine
PubChem CID62935626
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H26N2S/c17-13-14(15-5-4-12-19-15)18-10-8-16(9-11-18)6-2-1-3-7-16/h4-5,12,14H,1-3,6-11,13,17H2
InChIKeyJSQVFFLTJCOUJV-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-thiophen-2-ylethanamine
CID 114083369
1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
CID 62941144
2-pyrrol-1-yl-2-thiophen-2-ylethanamine
CID 55262597
2-(4,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62935471
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
CID 9161313
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
CID 16642687
2-[1-(2-amino-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 55021562
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673

Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine (CID 62935626) is 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine is NCC(c1cccs1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine?
The InChIKey is JSQVFFLTJCOUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c17-13-14(15-5-4-12-19-15)18-10-8-16(9-11-18)6-2-1-3-7-16/h4-5,12,14H,1-3,6-11,13,17H2.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine?
2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine has a molecular weight of 278.46 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62935626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).