2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine

C15H30N2 — CID 63163660

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H30N2/c1-3-14(13-16-4-2)17-11-9-15(10-12-17)7-5-6-8-15/h14,16H,3-13H2,1-2H3
InChIKeyPKJBFBBEVVZFOH-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds5

About 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine

2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine (PubChem CID 63163660) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine
PubChem CID63163660
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H30N2/c1-3-14(13-16-4-2)17-11-9-15(10-12-17)7-5-6-8-15/h14,16H,3-13H2,1-2H3
InChIKeyPKJBFBBEVVZFOH-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine (CID 63163660) is 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine is CCNCC(CC)N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine?
The InChIKey is PKJBFBBEVVZFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-14(13-16-4-2)17-11-9-15(10-12-17)7-5-6-8-15/h14,16H,3-13H2,1-2H3.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine?
2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 63163660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).