2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane

C11H22IN2- — CID 176935087

IUPAC2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESC[I-]N1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C11H22IN2/c1-10(2)13-6-4-11(5-7-13)8-14(9-11)12-3/h10H,4-9H2,1-3H3/q-1
InChIKeyRNVHORCQFROANJ-UHFFFAOYSA-N
MW309.21 g/mol
LogP-1.57
Rot. Bonds2

About 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane

2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 176935087) has the molecular formula C11H22IN2- and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID176935087
Molecular FormulaC11H22IN2-
Molecular Weight309.21 g/mol
Exact Mass309.08
IUPAC Name2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESC[I-]N1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C11H22IN2/c1-10(2)13-6-4-11(5-7-13)8-14(9-11)12-3/h10H,4-9H2,1-3H3/q-1
InChIKeyRNVHORCQFROANJ-UHFFFAOYSA-N
XLogP-1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
CID 130380883
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-amine
CID 134436171
ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 154672647
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene
CID 176829653

Frequently Asked Questions

What is the IUPAC name of 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 176935087) is 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is C[I-]N1CC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is RNVHORCQFROANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22IN2/c1-10(2)13-6-4-11(5-7-13)8-14(9-11)12-3/h10H,4-9H2,1-3H3/q-1.
What are the key properties of 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 309.21 g/mol, XLogP of -1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliodanuidyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 176935087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).