3-(5-chloropentyl)-3-azaspiro[5.5]undecane

C15H28ClN — CID 63446917

IUPAC3-(5-chloropentyl)-3-azaspiro[5.5]undecane
SMILESClCCCCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28ClN/c16-11-5-2-6-12-17-13-9-15(10-14-17)7-3-1-4-8-15/h1-14H2
InChIKeySOJFTCGTTMVMGQ-UHFFFAOYSA-N
MW257.85 g/mol
LogP4.44
Rot. Bonds5

About 3-(5-chloropentyl)-3-azaspiro[5.5]undecane

3-(5-chloropentyl)-3-azaspiro[5.5]undecane (PubChem CID 63446917) has the molecular formula C15H28ClN and a molecular weight of 257.85 g/mol. Its IUPAC name is 3-(5-chloropentyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(5-chloropentyl)-3-azaspiro[5.5]undecane
PubChem CID63446917
Molecular FormulaC15H28ClN
Molecular Weight257.85 g/mol
Exact Mass257.19
IUPAC Name3-(5-chloropentyl)-3-azaspiro[5.5]undecane
SMILESClCCCCCN1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H28ClN/c16-11-5-2-6-12-17-13-9-15(10-14-17)7-3-1-4-8-15/h1-14H2
InChIKeySOJFTCGTTMVMGQ-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.85
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-(6-chlorohexyl)-8-azaspiro[4.5]decane
CID 63447004
7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride
CID 54606300
5-(8-azaspiro[4.5]decan-8-yl)pentan-1-amine
CID 63157322
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
CID 55157288
1-(4-chlorobutyl)azepane
CID 22568254
4-(3-azaspiro[5.5]undecan-3-yl)-N-ethylbutan-1-amine
CID 62931160
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
CID 134842907
3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine
CID 125489512
1-(5-chloropentyl)-4-pentylpiperazine
CID 67898434
8-(3-azidopropyl)-8-azaspiro[4.5]decane
CID 55219015
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropentyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 3-(5-chloropentyl)-3-azaspiro[5.5]undecane (CID 63446917) is 3-(5-chloropentyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(5-chloropentyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-(5-chloropentyl)-3-azaspiro[5.5]undecane is ClCCCCCN1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(5-chloropentyl)-3-azaspiro[5.5]undecane?
The InChIKey is SOJFTCGTTMVMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN/c16-11-5-2-6-12-17-13-9-15(10-14-17)7-3-1-4-8-15/h1-14H2.
What are the key properties of 3-(5-chloropentyl)-3-azaspiro[5.5]undecane?
3-(5-chloropentyl)-3-azaspiro[5.5]undecane has a molecular weight of 257.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropentyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 63446917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).