3-(spiro[4.5]decan-8-ylamino)propan-1-ol

C13H25NO — CID 114817188

IUPAC3-(spiro[4.5]decan-8-ylamino)propan-1-ol
SMILESOCCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C13H25NO/c15-11-3-10-14-12-4-8-13(9-5-12)6-1-2-7-13/h12,14-15H,1-11H2
InChIKeyTWFMWGPJSVEJPY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds4

About 3-(spiro[4.5]decan-8-ylamino)propan-1-ol

3-(spiro[4.5]decan-8-ylamino)propan-1-ol (PubChem CID 114817188) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(spiro[4.5]decan-8-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(spiro[4.5]decan-8-ylamino)propan-1-ol
PubChem CID114817188
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(spiro[4.5]decan-8-ylamino)propan-1-ol
SMILESOCCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C13H25NO/c15-11-3-10-14-12-4-8-13(9-5-12)6-1-2-7-13/h12,14-15H,1-11H2
InChIKeyTWFMWGPJSVEJPY-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol
CID 114817197
4-(spiro[4.5]decan-8-ylamino)butanoic acid
CID 114817440
N-(2-fluoroethyl)spiro[4.5]decan-8-amine
CID 130503762
N-(3-piperidin-1-ylpropyl)spiro[4.5]decan-8-amine
CID 114817155
N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine
CID 114817921
N-(3-butoxypropyl)spiro[4.5]decan-8-amine
CID 114817917
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
CID 114816994
3-[3-(cyclopropylamino)propylamino]propan-1-ol
CID 149151310
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
CID 114817712
tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107242237
N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
CID 114817665

Frequently Asked Questions

What is the IUPAC name of 3-(spiro[4.5]decan-8-ylamino)propan-1-ol?
The IUPAC name of 3-(spiro[4.5]decan-8-ylamino)propan-1-ol (CID 114817188) is 3-(spiro[4.5]decan-8-ylamino)propan-1-ol.
What is the SMILES notation for 3-(spiro[4.5]decan-8-ylamino)propan-1-ol?
The canonical SMILES for 3-(spiro[4.5]decan-8-ylamino)propan-1-ol is OCCCNC1CCC2(CCCC2)CC1.
What is the InChIKey of 3-(spiro[4.5]decan-8-ylamino)propan-1-ol?
The InChIKey is TWFMWGPJSVEJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c15-11-3-10-14-12-4-8-13(9-5-12)6-1-2-7-13/h12,14-15H,1-11H2.
What are the key properties of 3-(spiro[4.5]decan-8-ylamino)propan-1-ol?
3-(spiro[4.5]decan-8-ylamino)propan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[4.5]decan-8-ylamino)propan-1-ol is sourced from PubChem (CID 114817188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).