N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine

C17H26N2OS — CID 79907507

IUPACN-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccn1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H26N2OS/c1-2-18-16(15-5-3-4-9-19-15)14-6-10-20-17(13-14)7-11-21-12-8-17/h3-5,9,14,16,18H,2,6-8,10-13H2,1H3
InChIKeyDIOGQJLPFHVDRE-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.42
Rot. Bonds4

About N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine

N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine (PubChem CID 79907507) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine
PubChem CID79907507
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccn1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H26N2OS/c1-2-18-16(15-5-3-4-9-19-15)14-6-10-20-17(13-14)7-11-21-12-8-17/h3-5,9,14,16,18H,2,6-8,10-13H2,1H3
InChIKeyDIOGQJLPFHVDRE-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyrimidin-4-yl)methyl]ethanamine
CID 79909740
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyrazin-2-yl)methyl]ethanamine
CID 79908127
N-[(2-bromofuran-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 106858272
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313
N-[(2-chlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908708
N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106755665
N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692724
N-ethyl-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914163
N-ethyl-2,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105018116
N-[(2-chlorofuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692703
N-[(3-methylthiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017670
N-[1,9-dioxaspiro[5.5]undecan-4-yl-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105167535

Frequently Asked Questions

What is the IUPAC name of N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine?
The IUPAC name of N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine (CID 79907507) is N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine is CCNC(c1ccccn1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine?
The InChIKey is DIOGQJLPFHVDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-18-16(15-5-3-4-9-19-15)14-6-10-20-17(13-14)7-11-21-12-8-17/h3-5,9,14,16,18H,2,6-8,10-13H2,1H3.
What are the key properties of N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine?
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine has a molecular weight of 306.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine is sourced from PubChem (CID 79907507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).