N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C17H33NOS — CID 115567507

IUPACN-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCCCCCCCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H33NOS/c1-2-3-4-5-6-7-11-18-16-8-12-19-17(15-16)9-13-20-14-10-17/h16,18H,2-15H2,1H3
InChIKeyUNFUOIOLEGESDF-UHFFFAOYSA-N
MW299.52 g/mol
LogP4.38
Rot. Bonds8

About N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 115567507) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID115567507
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC NameN-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCCCCCCCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H33NOS/c1-2-3-4-5-6-7-11-18-16-8-12-19-17(15-16)9-13-20-14-10-17/h16,18H,2-15H2,1H3
InChIKeyUNFUOIOLEGESDF-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251
N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
CID 79895464
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 113484095
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880
N-[2-(2-methylprop-2-enoxy)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114467588
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444

Frequently Asked Questions

What is the IUPAC name of N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 115567507) is N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine is CCCCCCCCNC1CCOC2(CCSCC2)C1.
What is the InChIKey of N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is UNFUOIOLEGESDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NOS/c1-2-3-4-5-6-7-11-18-16-8-12-19-17(15-16)9-13-20-14-10-17/h16,18H,2-15H2,1H3.
What are the key properties of N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 299.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 115567507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).