N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine

C16H25N3O — CID 110131035

IUPACN-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCCNC1CCOC2(CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C16H25N3O/c1-2-17-14-6-12-20-16(13-14)7-10-19(11-8-16)15-5-3-4-9-18-15/h3-5,9,14,17H,2,6-8,10-13H2,1H3
InChIKeyOODZRPZGJBACNI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.21
Rot. Bonds3

About N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine

N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine (PubChem CID 110131035) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
PubChem CID110131035
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCCNC1CCOC2(CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C16H25N3O/c1-2-17-14-6-12-20-16(13-14)7-10-19(11-8-16)15-5-3-4-9-18-15/h3-5,9,14,17H,2,6-8,10-13H2,1H3
InChIKeyOODZRPZGJBACNI-UHFFFAOYSA-N
XLogP2.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-[(4R)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462380
(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475455
(4R)-9-ethylsulfonyl-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98894497
(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 125461496
9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450937
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903039
1H-pyrazol-5-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 91924308
N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 131639126
[(4S)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
CID 125461881
(5R,9R)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477327
(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124910174

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The IUPAC name of N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine (CID 110131035) is N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine is CCNC1CCOC2(CCN(c3ccccn3)CC2)C1.
What is the InChIKey of N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The InChIKey is OODZRPZGJBACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-17-14-6-12-20-16(13-14)7-10-19(11-8-16)15-5-3-4-9-18-15/h3-5,9,14,17H,2,6-8,10-13H2,1H3.
What are the key properties of N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine has a molecular weight of 275.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 110131035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).