N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine

C17H31NO — CID 114817665

IUPACN-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
SMILESC1CCC(OCCNC2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C17H31NO/c1-2-6-16(5-1)19-14-13-18-15-7-11-17(12-8-15)9-3-4-10-17/h15-16,18H,1-14H2
InChIKeyJLANULAGBUVONE-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine

N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine (PubChem CID 114817665) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
PubChem CID114817665
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
SMILESC1CCC(OCCNC2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C17H31NO/c1-2-6-16(5-1)19-14-13-18-15-7-11-17(12-8-15)9-3-4-10-17/h15-16,18H,1-14H2
InChIKeyJLANULAGBUVONE-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine (CID 114817665) is N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine is C1CCC(OCCNC2CCC3(CCCC3)CC2)C1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine?
The InChIKey is JLANULAGBUVONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-6-16(5-1)19-14-13-18-15-7-11-17(12-8-15)9-3-4-10-17/h15-16,18H,1-14H2.
What are the key properties of N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine?
N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine has a molecular weight of 265.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).