2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine

C19H29NO — CID 140910140

IUPAC2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESCC(C)CC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C19H29NO/c1-16(2)8-11-18(17-7-3-6-13-20-17)12-14-21-19(15-18)9-4-5-10-19/h3,6-7,13,16H,4-5,8-12,14-15H2,1-2H3/t18-/m1/s1
InChIKeyWASXCPYQQLGIJY-GOSISDBHSA-N
MW287.45 g/mol
LogP4.88
Rot. Bonds4

About 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine

2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 140910140) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Name2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID140910140
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESCC(C)CC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C19H29NO/c1-16(2)8-11-18(17-7-3-6-13-20-17)12-14-21-19(15-18)9-4-5-10-19/h3,6-7,13,16H,4-5,8-12,14-15H2,1-2H3/t18-/m1/s1
InChIKeyWASXCPYQQLGIJY-GOSISDBHSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]-4-[2-methyl-4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine
CID 139562326
1-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
CID 138478585
2-[(9R)-9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl]pyridine
CID 157124464
2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine
CID 147911027
2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
CID 158822502
2-(3-methylphenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine
CID 77476200
N-[(2,6-difluorophenyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 129158672
2-(4-chlorophenyl)-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]ethanamine
CID 77476311
2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine
CID 148726514
3-chloro-2-methoxy-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine
CID 159040015
2-(methoxymethyl)-N-[2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethyl]-1,3-dihydroinden-2-amine
CID 163995946
N-(pyrazin-2-ylmethyl)-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 77476252

Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 140910140) is 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine is CC(C)CC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.
What is the InChIKey of 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is WASXCPYQQLGIJY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29NO/c1-16(2)8-11-18(17-7-3-6-13-20-17)12-14-21-19(15-18)9-4-5-10-19/h3,6-7,13,16H,4-5,8-12,14-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine?
2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 287.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-9-(3-methylbutyl)-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 140910140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).