N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine

C18H26INO — CID 105010353

IUPACN-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(I)cc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C18H26INO/c1-2-11-20-17(14-4-6-16(19)7-5-14)15-8-12-21-18(13-15)9-3-10-18/h4-7,15,17,20H,2-3,8-13H2,1H3
InChIKeyIQARAOUNGMEIKV-UHFFFAOYSA-N
MW399.32 g/mol
LogP4.68
Rot. Bonds5

About N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine

N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine (PubChem CID 105010353) has the molecular formula C18H26INO and a molecular weight of 399.32 g/mol. Its IUPAC name is N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
PubChem CID105010353
Molecular FormulaC18H26INO
Molecular Weight399.32 g/mol
Exact Mass399.11
IUPAC NameN-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(I)cc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C18H26INO/c1-2-11-20-17(14-4-6-16(19)7-5-14)15-8-12-21-18(13-15)9-3-10-18/h4-7,15,17,20H,2-3,8-13H2,1H3
InChIKeyIQARAOUNGMEIKV-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 54.68
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

N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 79914070
N-[(2-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105170255
N-[(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105166315
N-[(3-chlorothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016857
N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107976597
N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105169854
N-[(4-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79909990
N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
CID 79908966
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107503959
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801
N-[(2-methylcyclopropyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79911700

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine (CID 105010353) is N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine is CCCNC(c1ccc(I)cc1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
The InChIKey is IQARAOUNGMEIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26INO/c1-2-11-20-17(14-4-6-16(19)7-5-14)15-8-12-21-18(13-15)9-3-10-18/h4-7,15,17,20H,2-3,8-13H2,1H3.
What are the key properties of N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine?
N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine has a molecular weight of 399.32 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine is sourced from PubChem (CID 105010353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).