2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine

C11H20N2 — CID 170719041

IUPAC2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine
SMILES[H]N=C1CCC2(CC1)CN(C(C)C)C2
InChIInChI=1S/C11H20N2/c1-9(2)13-7-11(8-13)5-3-10(12)4-6-11/h9,12H,3-8H2,1-2H3
InChIKeySRFDLWPVFFXBCL-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.29
Rot. Bonds1

About 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine

2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine (PubChem CID 170719041) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine.

Molecular Properties

Compound Name2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine
PubChem CID170719041
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine
SMILES[H]N=C1CCC2(CC1)CN(C(C)C)C2
InChIInChI=1S/C11H20N2/c1-9(2)13-7-11(8-13)5-3-10(12)4-6-11/h9,12H,3-8H2,1-2H3
InChIKeySRFDLWPVFFXBCL-UHFFFAOYSA-N
XLogP2.29
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
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
azane;fluoroform;2-propan-2-yl-2-azaspiro[3.5]nonane
CID 170629279
2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane
CID 166054937
2,8-di(propan-2-yl)-2-azaspiro[3.7]undecane
CID 170930119
2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-amine
CID 134436171
2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 157227822
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167655011
7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
CID 176984351
1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
CID 130380883
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine?
The IUPAC name of 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine (CID 170719041) is 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine.
What is the SMILES notation for 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine?
The canonical SMILES for 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine is [H]N=C1CCC2(CC1)CN(C(C)C)C2.
What is the InChIKey of 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine?
The InChIKey is SRFDLWPVFFXBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)13-7-11(8-13)5-3-10(12)4-6-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine?
2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine has a molecular weight of 180.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine is sourced from PubChem (CID 170719041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).