(5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine

C12H24N2O — CID 97474345

IUPAC(5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCCN(CC)[C@H]1CCO[C@]2(CCNC2)C1
InChIInChI=1S/C12H24N2O/c1-3-14(4-2)11-5-8-15-12(9-11)6-7-13-10-12/h11,13H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyQRPRDHNWVFJXSD-NWDGAFQWSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds3

About (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine

(5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 97474345) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID97474345
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCCN(CC)[C@H]1CCO[C@]2(CCNC2)C1
InChIInChI=1S/C12H24N2O/c1-3-14(4-2)11-5-8-15-12(9-11)6-7-13-10-12/h11,13H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyQRPRDHNWVFJXSD-NWDGAFQWSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
N-ethyl-N-(1-oxa-9-azaspiro[5.5]undecan-4-yl)methanesulfonamide
CID 73440496
(5R,9S)-6-oxa-2-azaspiro[4.5]decan-9-ol
CID 129497505
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
N,N-diethyl-2-azaspiro[3.4]octan-6-amine
CID 171092576
3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol
CID 114761198
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 106615997
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 97474345) is (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine is CCN(CC)[C@H]1CCO[C@]2(CCNC2)C1.
What is the InChIKey of (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is QRPRDHNWVFJXSD-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-14(4-2)11-5-8-15-12(9-11)6-7-13-10-12/h11,13H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 97474345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).