2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine

C15H29N3O — CID 102896437

IUPAC2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H29N3O/c16-7-8-17-9-11-18(12-10-17)13-14-3-6-15(19-14)4-1-2-5-15/h14H,1-13,16H2
InChIKeyMYOUJTAOOQNBBR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.05
Rot. Bonds4

About 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine

2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine (PubChem CID 102896437) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine
PubChem CID102896437
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H29N3O/c16-7-8-17-9-11-18(12-10-17)13-14-3-6-15(19-14)4-1-2-5-15/h14H,1-13,16H2
InChIKeyMYOUJTAOOQNBBR-UHFFFAOYSA-N
XLogP1.05
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{6-Oxa-9-azaspiro[4.5]decan-9-yl}ethan-1-amine
CID 131086946
N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
CID 107494520
N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494775
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494833
N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 113966393
N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-1-yl)propan-1-amine
CID 21544540
7,7-Dimethyl-9-(oxolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 24264584
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 55160451
[5-(8-Azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine
CID 63163248
9-(Oxolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64834063
8,8-Dimethyl-6-(oxolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64840919
8-Ethyl-6-(oxolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64843152

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine (CID 102896437) is 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine is NCCN1CCN(CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine?
The InChIKey is MYOUJTAOOQNBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c16-7-8-17-9-11-18(12-10-17)13-14-3-6-15(19-14)4-1-2-5-15/h14H,1-13,16H2.
What are the key properties of 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine?
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine has a molecular weight of 267.42 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 102896437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).