sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane

C20H38NNa-2 — CID 176741795

IUPACsodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane
SMILESC[C-](C)C.[CH2-]C([CH2-])CN1CC2(CCC(C(C)(C)C)CC2)C1.[Na+]
InChIInChI=1S/C16H29N.C4H9.Na/c1-13(2)10-17-11-16(12-17)8-6-14(7-9-16)15(3,4)5;1-4(2)3;/h13-14H,1-2,6-12H2,3-5H3;1-3H3;/q-2;-1;+1
InChIKeyWSMFMYZMSHNXSQ-UHFFFAOYSA-N
MW315.52 g/mol
LogP2.43
Rot. Bonds2

About sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane

sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane (PubChem CID 176741795) has the molecular formula C20H38NNa-2 and a molecular weight of 315.52 g/mol. Its IUPAC name is sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane.

Molecular Properties

Compound Namesodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane
PubChem CID176741795
Molecular FormulaC20H38NNa-2
Molecular Weight315.52 g/mol
Exact Mass315.29
IUPAC Namesodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane
SMILESC[C-](C)C.[CH2-]C([CH2-])CN1CC2(CCC(C(C)(C)C)CC2)C1.[Na+]
InChIInChI=1S/C16H29N.C4H9.Na/c1-13(2)10-17-11-16(12-17)8-6-14(7-9-16)15(3,4)5;1-4(2)3;/h13-14H,1-2,6-12H2,3-5H3;1-3H3;/q-2;-1;+1
InChIKeyWSMFMYZMSHNXSQ-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-tert-butylspiro[3.5]nonane
CID 123908402
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
6-tert-butylspiro[2.4]heptane
CID 140640828
9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane
CID 170073816
4-tert-butyl-1-(4-tert-butyl-1-methoxycyclohexyl)-1-methoxycyclohexane
CID 178089646
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
N-(1,1-difluoroethyl)-N-ethyl-2-(2-methylpropyl)-2-azaspiro[3.5]nonan-7-amine;ethane
CID 176558034
2-(2-azaspiro[3.6]decan-2-yl)-1-cyclopropylethanol
CID 104549604
4-tert-butyl-1,1-dichlorocyclohexane
CID 10867528
1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol
CID 15638554
2-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 118300646
7-(2,2-dimethylpropyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
CID 159552741

Frequently Asked Questions

What is the IUPAC name of sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane?
The IUPAC name of sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane (CID 176741795) is sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane.
What is the SMILES notation for sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane?
The canonical SMILES for sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane is C[C-](C)C.[CH2-]C([CH2-])CN1CC2(CCC(C(C)(C)C)CC2)C1.[Na+].
What is the InChIKey of sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane?
The InChIKey is WSMFMYZMSHNXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N.C4H9.Na/c1-13(2)10-17-11-16(12-17)8-6-14(7-9-16)15(3,4)5;1-4(2)3;/h13-14H,1-2,6-12H2,3-5H3;1-3H3;/q-2;-1;+1.
What are the key properties of sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane?
sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane has a molecular weight of 315.52 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-tert-butyl-2-(2-methanidylpropyl)-2-azaspiro[3.5]nonane;2-methylpropane is sourced from PubChem (CID 176741795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).