1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine

C19H30N2 — CID 79677107

IUPAC1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1N1CC2(CCCCCC2)C1
InChIInChI=1S/C19H30N2/c1-3-20-16(2)17-10-6-7-11-18(17)21-14-19(15-21)12-8-4-5-9-13-19/h6-7,10-11,16,20H,3-5,8-9,12-15H2,1-2H3
InChIKeySSPBRIYMLRMCPB-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.52
Rot. Bonds4

About 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine

1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine (PubChem CID 79677107) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine
PubChem CID79677107
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1N1CC2(CCCCCC2)C1
InChIInChI=1S/C19H30N2/c1-3-20-16(2)17-10-6-7-11-18(17)21-14-19(15-21)12-8-4-5-9-13-19/h6-7,10-11,16,20H,3-5,8-9,12-15H2,1-2H3
InChIKeySSPBRIYMLRMCPB-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol
CID 104549307
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]-N-ethylethanamine
CID 107455826
N-[1-[2-(3,3-dimethoxyazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79678785
N-ethyl-1-[2-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 61419346
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
1-[2-[1-(ethylamino)ethyl]phenyl]piperidine-2,6-dione
CID 43653745
1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
CID 79678198
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine
CID 61441210
N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170650
2-(2-azaspiro[3.6]decan-2-yl)aniline
CID 79678213
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine (CID 79677107) is 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1N1CC2(CCCCCC2)C1.
What is the InChIKey of 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine?
The InChIKey is SSPBRIYMLRMCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-20-16(2)17-10-6-7-11-18(17)21-14-19(15-21)12-8-4-5-9-13-19/h6-7,10-11,16,20H,3-5,8-9,12-15H2,1-2H3.
What are the key properties of 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine?
1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine has a molecular weight of 286.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 79677107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).