[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol

C16H29NO — CID 104550634

IUPAC[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
SMILESOCC1(CN2CC3(CCCCCC3)C2)CCCC1
InChIInChI=1S/C16H29NO/c18-14-16(9-5-6-10-16)13-17-11-15(12-17)7-3-1-2-4-8-15/h18H,1-14H2
InChIKeyMWHVIIYXDCSFHB-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.20
Rot. Bonds3

About [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol

[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol (PubChem CID 104550634) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
PubChem CID104550634
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
SMILESOCC1(CN2CC3(CCCCCC3)C2)CCCC1
InChIInChI=1S/C16H29NO/c18-14-16(9-5-6-10-16)13-17-11-15(12-17)7-3-1-2-4-8-15/h18H,1-14H2
InChIKeyMWHVIIYXDCSFHB-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol?
The IUPAC name of [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol (CID 104550634) is [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol.
What is the SMILES notation for [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol?
The canonical SMILES for [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol is OCC1(CN2CC3(CCCCCC3)C2)CCCC1.
What is the InChIKey of [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol?
The InChIKey is MWHVIIYXDCSFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c18-14-16(9-5-6-10-16)13-17-11-15(12-17)7-3-1-2-4-8-15/h18H,1-14H2.
What are the key properties of [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol?
[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol has a molecular weight of 251.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol is sourced from PubChem (CID 104550634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).