6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane

C18H27IN2 — CID 65490573

IUPAC6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
SMILESCCCC1CN(Cc2ccc(I)cc2)C2(CCCC2)CN1
InChIInChI=1S/C18H27IN2/c1-2-5-17-13-21(12-15-6-8-16(19)9-7-15)18(14-20-17)10-3-4-11-18/h6-9,17,20H,2-5,10-14H2,1H3
InChIKeyPHLPZYHCKOHTAQ-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.18
Rot. Bonds4

About 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane

6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane (PubChem CID 65490573) has the molecular formula C18H27IN2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
PubChem CID65490573
Molecular FormulaC18H27IN2
Molecular Weight398.33 g/mol
Exact Mass398.12
IUPAC Name6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
SMILESCCCC1CN(Cc2ccc(I)cc2)C2(CCCC2)CN1
InChIInChI=1S/C18H27IN2/c1-2-5-17-13-21(12-15-6-8-16(19)9-7-15)18(14-20-17)10-3-4-11-18/h6-9,17,20H,2-5,10-14H2,1H3
InChIKeyPHLPZYHCKOHTAQ-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64839410
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64845332
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291
1-[(4-bromophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64845931
1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64840164
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64839799
1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 65460666
2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64840168
1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
CID 64840562
6-benzyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64877476

Frequently Asked Questions

What is the IUPAC name of 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane (CID 65490573) is 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane is CCCC1CN(Cc2ccc(I)cc2)C2(CCCC2)CN1.
What is the InChIKey of 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane?
The InChIKey is PHLPZYHCKOHTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27IN2/c1-2-5-17-13-21(12-15-6-8-16(19)9-7-15)18(14-20-17)10-3-4-11-18/h6-9,17,20H,2-5,10-14H2,1H3.
What are the key properties of 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane?
6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane has a molecular weight of 398.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 65490573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).