3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine

C17H34N2 — CID 125489512

IUPAC3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-18(4-2)13-8-14-19-15-11-17(12-16-19)9-6-5-7-10-17/h3-16H2,1-2H3
InChIKeyJRCAYHJPSGJXFU-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.76
Rot. Bonds6

About 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine

3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine (PubChem CID 125489512) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine
PubChem CID125489512
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-18(4-2)13-8-14-19-15-11-17(12-16-19)9-6-5-7-10-17/h3-16H2,1-2H3
InChIKeyJRCAYHJPSGJXFU-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine (CID 125489512) is 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine is CCN(CC)CCCN1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine?
The InChIKey is JRCAYHJPSGJXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-18(4-2)13-8-14-19-15-11-17(12-16-19)9-6-5-7-10-17/h3-16H2,1-2H3.
What are the key properties of 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine?
3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 125489512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).