[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol

C16H29NO2 — CID 79921401

IUPAC[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCN(C)C1(C(O)C2CCOC3(CCC3)C2)CCCC1
InChIInChI=1S/C16H29NO2/c1-17(2)16(9-3-4-10-16)14(18)13-6-11-19-15(12-13)7-5-8-15/h13-14,18H,3-12H2,1-2H3
InChIKeyXUVKBFSCVUWZJK-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.57
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol

[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 79921401) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID79921401
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCN(C)C1(C(O)C2CCOC3(CCC3)C2)CCCC1
InChIInChI=1S/C16H29NO2/c1-17(2)16(9-3-4-10-16)14(18)13-6-11-19-15(12-13)7-5-8-15/h13-14,18H,3-12H2,1-2H3
InChIKeyXUVKBFSCVUWZJK-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921312
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116291
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid
CID 97050508
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79907256

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 79921401) is [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol is CN(C)C1(C(O)C2CCOC3(CCC3)C2)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is XUVKBFSCVUWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-17(2)16(9-3-4-10-16)14(18)13-6-11-19-15(12-13)7-5-8-15/h13-14,18H,3-12H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol?
[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 267.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 79921401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).